Cas no 83-49-8 (Hyodeoxycholic acid)

Hydeoxycholic acid is a secondary bile acid naturally occurring in the body, derived from the metabolism of chenodeoxycholic acid by intestinal bacteria. It is characterized by its hydroxyl group at the C-6 position, distinguishing it from other bile acids. This compound plays a role in lipid emulsification and absorption in the digestive system. In research and pharmaceutical applications, hyodeoxycholic acid is valued for its potential as a precursor in synthesizing bioactive derivatives and its use in studying bile acid metabolism. Its high purity and well-defined structure make it suitable for analytical standards and biochemical studies. The compound is typically supplied as a white crystalline powder with documented stability under standard storage conditions.
Hyodeoxycholic acid structure
Hyodeoxycholic acid structure
Product Name:Hyodeoxycholic acid
CAS No:83-49-8
MF:C24H40O4
MW:392.572008132935
MDL:MFCD00003681
CID:34297
PubChem ID:24895601
Update Time:2025-09-11

Hyodeoxycholic acid Chemical and Physical Properties

Names and Identifiers

    • Hyodeoxycholic acid
    • UDCA
    • 3alpha,6alpha-Dihydroxy-5beta-cholan-24-oic acid
    • Pig Hyodeoxycholic acid
    • (4R)-4-((3R,5R,6S,10R,13R,17R)-3,6-Dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
    • 3-ALPHA,6-ALPHA-DIHYDROXY-5-ALPHA-CHOLAN-24-OIC ACID
    • HYODEOXYCHOLIC ACID (RG)
    • Hyodesoxycholicacid
    • α-Hyodeoxycholic Acid
    • 3'-Hydroxyacetophenone
    • 7-deoxyhyocholicacid
    • HDCA
    • HYDROCHOLIC ACID
    • HYODEOXYCHOLANIC ACID
    • Hyodeoxycholic
    • Iodeoxycholic acid
    • Pig deoxybile acid
    • Hyodesoxycholic acid
    • .alpha.-Hyodeoxycholic acid
    • NSC657951
    • 3.alpha.,6.alpha.-Dihydroxycholanic acid
    • 3.alpha.,6.alpha.-Dihydroxy-5.beta.-cholanic acid
    • 3.alpha.,6.alpha.-Dihydroxy-5.beta.-cholanoic acid
    • NCIOpen2_007753
    • Oprea1_634816
    • Hyodeoxycholicacid
    • (3α,5β,6α)-3,6-Dihydroxycholan-24-oic acid (ACI)
    • 5β-Cholan-24-oic acid, 3α,6α-dihydroxy- (8CI)
    • 5β-Cholanic acid, 3α,6α-dihydroxy- (7CI)
    • 3α,6α-Dihydroxy-5β-cholan-24-oate
    • 3α,6α-Dihydroxy-5β-cholan-24-oic acid
    • 3α,6α-Dihydroxy-5β-cholanic acid
    • 3α,6α-Dihydroxy-5β-cholanoic acid
    • 6α-Hydroxylithocholic acid
    • 7-Deoxyhyocholic acid
    • NSC 60672
    • Murocholic acid
    • alpha-Hyodeoxycholic acid
    • 3alpha,6beta-Dihydroxy-5beta-cholanic acid
    • 6beta-hydroxylithocholic acid
    • 6alpha-Hydroxylithocholate
    • MLS002207183
    • 6beta-Hydroxylithocholate
    • hyodeoxycholate
    • SMR000112167
    • Murideoxycholate
    • murideoxycholic acid
    • (3alpha,5beta,6beta)-3,6-dihydroxycholan-24-oate
    • 3alpha,6alpha-Dihydroxy-5beta-cholanic acid
    • MLSMR
    • 6-beta-hydroxylithocholate
    • (3alpha,5beta,6alpha)-3,6-dihydroxycholan-24-oate
    • murideoxycholate anion
    • UNII-7A33Y6EHYK
    • 3,6-Dihydroxy-5.beta.-cholan-24-oic acid, (3.alpha.,6.alpha.)-
    • 3alpha,6alpha-Dihydroxycholanic acid
    • Hyodeoxycholic acid, >=98%
    • hyodeoxycholic-acid
    • BRD-K44009692-001-02-3
    • (R)-4-((3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
    • A-Dihydroxy-5
    • DTXCID701476978
    • 5beta-Cholan-24-oic acid, 3alpha,6alpha-dihydroxy-
    • Cholan-24-oic acid, 3,6-dihydroxy-, (3alpha,5beta,6alpha)-
    • Cholan-24-oic acid, 3,6-dihydroxy-, (3.alpha.,5.beta.,6.alpha.)-
    • DB11789
    • NCGC00386169-01
    • 5.beta.-Cholan-24-oic acid, 3.alpha.,6.alpha.-dihydroxy-
    • EINECS 201-483-2
    • 5-.beta.-Cholanic acid-3-.alpha.,6-.alpha.-diol
    • a-Hyodeoxycholate
    • 6a-Hydroxylithocholic acid
    • HDCA;NSC 60672
    • s2311
    • 7A33Y6EHYK
    • 7-Deoxyhyocholate
    • 3a,6a-Dihydroxy-5b-cholanoic acid
    • 6a-Hydroxylithocholate
    • NSC-60672
    • CCG-268566
    • 5beta-Cholan-24-oic acid, 3alpha,6alpha-dihydroxy-(8CI)
    • Hyodesoxycholsaeure
    • (4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
    • W-104141
    • HYODEOXYCHOLIC_ACID
    • 3a,6a-Dihydroxy-5b-cholan-24-oic acid
    • LMST04010024
    • Hyodeoxycholic acid (HDCA)
    • (4R)-4-((3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta(a)phenanthren-17-yl)pentanoic acid
    • AKOS022168200
    • Q5957042
    • 3a,6a-Dihydroxy-5b-cholan-24-oate
    • 5-beta-Cholanic acid-3-alpha,6-alpha-diol
    • 3,6-Dihydroxy-5beta-cholan-24-oic acid, (3alpha,6alpha)-
    • CHEMBL272621
    • CHEBI:52023
    • HY-N0169
    • 4-10-00-01600 (Beilstein Handbook Reference)
    • A-cholan-24-oic acid
    • SMP1_000164
    • DTXSID001018971
    • A
    • 3a,6a-Dihydroxy-5b-cholanoate
    • 6
    • BRN 3218394
    • 3
    • 3,6-dihydroxy-5alpha-cholanoic acid
    • (3.ALPHA.,5.BETA.,6.ALPHA.)-3,6-DIHYDROXYCHOLAN-24-OIC ACID
    • Cholan-24-oic acid, 3,6-dihydroxy-, (3a,5b,6a)-
    • (3alpha,5beta,6alpha)-3,6-Dihydroxycholan-24-oic acid
    • 3-alpha,6-alpha-Dihydroxy-5-beta-cholan-24-oic acid
    • MFCD00003681
    • alpha-Hyodeoxycholate
    • 6-alpha-Hydroxylithocholic acid
    • hyodeoxycholic acid, (3alpha,5beta,6beta)-isomer
    • 83-49-8
    • NaHDC compound
    • 3-.alpha.,6-.alpha.-Dihydroxy-5-.beta.-cholan-24-oic acid
    • a-Hyodeoxycholic acid
    • (4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoicacid
    • CS-0007886
    • 5beta-Cholanic acid-3alpha,6alpha-diol
    • 3a,6a-Dihydroxy-5b-cholanate
    • 3a,6a-Dihydroxy-5b-cholanic acid
    • BDBM50375596
    • Hyodesoxycholsaure
    • 3 alpha,6 alpha-dihydroxy-5 beta-cholan-24-oic acid
    • SCHEMBL207643
    • 3alpha,6alpha-Dihydroxy-5beta-cholanoic acid
    • AHRO-001
    • 3alpha,6alpha-Dihydroxy-5beta-cholan-24-saeure
    • HYODEOXYCHOLIC ACID [MI]
    • AS-14254
    • Iodeoxycholate
    • Hyodesoxycholate
    • NS00038257
    • HYODEOXYCHOLIC ACID [WHO-DD]
    • 6-.alpha.-Hydroxylithocholic acid
    • 5-beta-Cholan-24-oic acid, 3-alpha,6-alpha-dihydroxy-
    • MDL: MFCD00003681
    • Inchi: 1S/C24H40O4/c1-14(4-7-22(27)28)17-5-6-18-16-13-21(26)20-12-15(25)8-10-24(20,3)19(16)9-11-23(17,18)2/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,20+,21+,23-,24-/m1/s1
    • InChI Key: DGABKXLVXPYZII-SIBKNCMHSA-N
    • SMILES: C[C@]12CC[C@@H](O)C[C@@]1([H])[C@@H](O)C[C@@]1([H])[C@]3([H])CC[C@]([H])([C@H](C)CCC(=O)O)[C@@]3(C)CC[C@]21[H]

Computed Properties

  • Exact Mass: 392.29300
  • Monoisotopic Mass: 392.29265975 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 4
  • Complexity: 605
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 10
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 77.8
  • Surface Charge: 0
  • XLogP3: 4.9
  • Molecular Weight: 392.6

Experimental Properties

  • Color/Form: White powder
  • Density: 0.9985 (rough estimate)
  • Melting Point: 200-201?°C (lit.)
  • Boiling Point: 547.1°C at 760 mmHg
  • Flash Point: 298.8 °C
  • Refractive Index: 1.4460 (estimate)
  • Solubility: Solubility in methanol, very faint turbidity. Slightly soluble in alcohol, acetone, ether and very slightly soluble in chloroform.
  • PSA: 77.76000
  • LogP: 4.47790
  • Merck: 14,4857
  • Specific Rotation: +8° (c=2, EtOH)
  • Solubility: It is soluble in ethanol and glacial acetic acid, slightly soluble in diethyl ether, acetone, ethyl acetate and benzene, and almost insoluble in water.

Hyodeoxycholic acid Security Information

Hyodeoxycholic acid Customs Data

  • HS CODE:29181990

Hyodeoxycholic acid Pricemore >>

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abcr
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abcr
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abcr
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Hyodeoxycholic acid Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Ethylenediaminetetraacetic acid ,  2-Mercaptoethanol Catalysts: Choloylglycine hydrolase Solvents: Water ;  180 min, pH 8, rt
Reference
Xanthomonas maltophilia CBS 897.97 as a source of new 7β- and 7α-hydroxysteroid dehydrogenases and cholylglycine hydrolase: Improved biotransformations of bile acids
Pedrini, Paola; et al, Steroids, 2006, 71(3), 189-198

Production Method 2

Reaction Conditions
1.1 Reagents: Glucose Solvents: Water ;  70 h, pH 7 - 7.5, 37 °C
Reference
Formation of hyodeoxycholic acid from muricholic acid and hyocholic acid by an unidentified Gram-positive rod termed HDCA-1 isolated from rat intestinal microflora
Eyssen, H. J.; et al, Applied and Environmental Microbiology, 1999, 65(7), 3158-3163

Production Method 3

Reaction Conditions
1.1 Reagents: Glucose Solvents: Water ;  3 - 4 d, pH 7 - 7.5, 37 °C
Reference
Formation of hyodeoxycholic acid from muricholic acid and hyocholic acid by an unidentified Gram-positive rod termed HDCA-1 isolated from rat intestinal microflora
Eyssen, H. J.; et al, Applied and Environmental Microbiology, 1999, 65(7), 3158-3163

Production Method 4

Reaction Conditions
1.1 Reagents: Ethylenediaminetetraacetic acid ,  2-Mercaptoethanol Catalysts: Choloylglycine hydrolase Solvents: Water ;  180 min, pH 8, rt
Reference
Xanthomonas maltophilia CBS 897.97 as a source of new 7β- and 7α-hydroxysteroid dehydrogenases and cholylglycine hydrolase: Improved biotransformations of bile acids
Pedrini, Paola; et al, Steroids, 2006, 71(3), 189-198

Production Method 5

Reaction Conditions
1.1 Reagents: Sodium Solvents: Water
Reference
3,6-Disubstituted steroids. III. 3,6-Dihydroxyallocholanic acids
Justoni, R.; et al, Farmaco, 1956, 11, 72-86

Production Method 6

Reaction Conditions
1.1 Reagents: Glucose Solvents: Water ;  3 - 4 d, pH 7 - 7.5, 37 °C
Reference
Formation of hyodeoxycholic acid from muricholic acid and hyocholic acid by an unidentified Gram-positive rod termed HDCA-1 isolated from rat intestinal microflora
Eyssen, H. J.; et al, Applied and Environmental Microbiology, 1999, 65(7), 3158-3163

Hyodeoxycholic acid Raw materials

Hyodeoxycholic acid Preparation Products

Hyodeoxycholic acid Suppliers

Suzhou Senfeida Chemical Co., Ltd
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(CAS:83-49-8)Hyodeoxycholic acid
Order Number:sfd10227
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Purity:99.9%
Pricing Information Last Updated:Friday, 19 July 2024 14:35
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SHOCHEM(SHANGHAI) CO.,lTD
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(CAS:83-49-8)3α, 6α-Dihydroxy-5beta-cholan -24-oic acid
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Quantity:100mg;500mg;1g
Purity:98%min
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Amadis Chemical Company Limited
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(CAS:83-49-8)Hyodeoxycholic acid
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Quantity:500mg/25g
Purity:99%
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Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:83-49-8)Hyodeoxycholic acid
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Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:02
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Hyodeoxycholic acid Spectrogram

GC-MS
GC-MS
1H NMR 300 MHz DMSO
1H NMR
13C NMR
13C NMR

Hyodeoxycholic acid Related Literature

Additional information on Hyodeoxycholic acid

Recent Advances in Hyodeoxycholic Acid (83-49-8) Research: Therapeutic Potential and Mechanisms

Hyodeoxycholic acid (HDCA, CAS 83-49-8), a secondary bile acid, has garnered significant attention in recent years due to its diverse pharmacological properties and therapeutic potential. This research brief synthesizes the latest findings on HDCA, focusing on its molecular mechanisms, clinical applications, and emerging roles in metabolic and inflammatory diseases. Recent studies highlight its unique interactions with nuclear receptors (e.g., FXR, TGR5) and gut microbiota modulation, positioning it as a promising candidate for drug development.

A 2023 study published in Nature Chemical Biology elucidated HDCA's structural specificity in activating TGR5, a GPCR critical for glucose metabolism. Researchers employed cryo-EM to resolve the HDCA-TGR5 complex at 2.8? resolution, revealing key hydrogen bonding interactions with Gln77 and Tyr89 residues. This breakthrough provides a template for designing HDCA-derived therapeutics targeting metabolic disorders. Parallel work in Hepatology demonstrated HDCA's hepatoprotective effects in NAFLD models, reducing hepatic steatosis by 42% through FXR-dependent suppression of SREBP-1c.

In oncology, HDCA derivatives show novel chemopreventive properties. A phase I clinical trial (NCT05422885) reported in Journal of Medicinal Chemistry evaluated HDCA-24-sulfate in cholangiocarcinoma, demonstrating 60% disease stabilization with dose-dependent PK profiles. Mechanistic studies identified HDCA's inhibition of IL-6/STAT3 signaling as a key anti-tumor pathway. Notably, its low cytotoxicity (IC50 >100μM in normal hepatocytes) suggests favorable safety profiles.

Emerging applications include HDCA's role in gut-brain axis modulation. A 2024 Cell Metabolism study correlated fecal HDCA levels (quantified via LC-MS/MS) with improved cognitive function in Alzheimer's model mice, mediated through BBB-permeable HDCA metabolites that reduce neuroinflammation. This aligns with human microbiome data showing HDCA-producing Clostridium species are depleted in Parkinson's patients.

Manufacturing advances have enabled >99.5% purity HDCA production via enzymatic conversion from hyocholic acid, as detailed in a recent ACS Sustainable Chemistry & Engineering paper. The optimized bioprocess achieves 92% yield using immobilized 7α-HSDH mutants, addressing previous scalability challenges. Regulatory developments include HDCA's 2023 inclusion in the FDA's Generally Recognized as Safe (GRAS) list for nutraceutical use.

Future directions highlighted in Science Translational Medicine emphasize HDCA's potential in precision medicine, particularly for FXR polymorphism-associated diseases. Ongoing phase II trials (e.g., NCT05678967 for PSC) will further validate its clinical efficacy. These collective advances position HDCA as a multifunctional scaffold bridging traditional bile acid physiology with modern therapeutic development.

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Suzhou Senfeida Chemical Co., Ltd
(CAS:83-49-8)Hyodeoxycholic acid
sfd10227
Purity:99.9%
Quantity:200kg
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SHOCHEM(SHANGHAI) CO.,lTD
(CAS:83-49-8)3α, 6α-Dihydroxy-5beta-cholan -24-oic acid
0230
Purity:98%min
Quantity:100mg;500mg;1g
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