Cas no 4185-00-6 (3-Oxo-7a-hydroxy-5b-cholanoic Acid)

3-Oxo-7a-hydroxy-5b-cholanoic Acid is a bile acid derivative with significant relevance in biochemical and pharmaceutical research. Its structure, featuring a 3-oxo group and a 7a-hydroxy substituent on the 5b-cholane skeleton, makes it a valuable intermediate for studying bile acid metabolism and steroid transformations. This compound is particularly useful in investigating enzymatic pathways, receptor interactions, and the synthesis of more complex steroid analogs. Its well-defined chemical properties and stability under standard conditions facilitate its application in analytical and synthetic chemistry. Researchers value it for its role in elucidating metabolic processes and developing potential therapeutic agents targeting bile acid-related disorders.
3-Oxo-7a-hydroxy-5b-cholanoic Acid structure
4185-00-6 structure
Product Name:3-Oxo-7a-hydroxy-5b-cholanoic Acid
CAS No:4185-00-6
MF:C24H38O4
MW:390.556128025055
CID:927436
PubChem ID:5283932
Update Time:2025-05-27

3-Oxo-7a-hydroxy-5b-cholanoic Acid Chemical and Physical Properties

Names and Identifiers

    • 7a-Hydroxy-3-oxo-5b-cholanoic acid
    • 3-Oxo-7α-hydroxy-5β-cholanoic Acid
    • (5β,7α)-7-Hydroxy-3-oxocholan-24-oic acid
    • 3-Oxo-7α-hydroxy-5β-
    • Ursodeoxycholic acid EP Impurity J
    • Obeticholic Acid Impurity 17
    • 3-OXO-7.ALPHA.-HYDROXYCHOLAN-24-OIC ACID
    • (5beta,7alpha)-7-Hydroxy-3-oxo-cholan-24-oic acid
    • 3MY7NM9XNW
    • 7.ALPHA.-HYDROXY-3-OXO-5.BETA.-CHOLAN-24-OIC ACID
    • 3-Oxo-7a-hydroxy-5b-cholanoic Acid
    • 3-dehydrochenodeoxycholic acid
    • A902946
    • CHOLAN-24-OIC ACID, 7-HYDROXY-3-OXO-, (5.BETA.,7.ALPHA.)-
    • (5I(2),7I+/-)-7-Hydroxy-3-oxocholan-24-oic acid
    • SCHEMBL24001497
    • (5beta,7alpha)-7-hydroxy-3-oxocholan-24-oic acid
    • 7alpha-Hydroxy-3-oxo-5beta-cholan-24-oic Acid
    • 7alpha-Hydroxy-3-oxo-5beta-cholanoic acid
    • DTXSID601272325
    • 4185-00-6
    • CHEBI:88097
    • 3-Oxo-7alpha-hydroxy-5beta-cholanoic Acid
    • (5beta,7alpha)-7-Hydroxy-3-oxo-cholan-24-oate
    • Cholan-24-oic acid, 7-hydroxy-3-oxo-, (5beta,7alpha)-
    • 3-Oxo-7alpha-hydroxycholan-24-oic acid
    • 3-oxochenodeoxycholic acid
    • (5.BETA.,7.ALPHA.)-7-HYDROXY-3-OXOCHOLAN-24-OIC ACID
    • (4R)-4-[(5R,7R,8R,9S,10S,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
    • 3-Keto-CDCA
    • CHEMBL271172
    • Q27160049
    • UNII-3MY7NM9XNW
    • LMST04010161
    • BDBM50375578
    • DB-223185
    • 7alpha-Hydroxy-3-oxo-5beta-cholanoate
    • 3-oxo-chenodeoxycholic acid
    • Inchi： 1S/C24H38O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-15,17-20,22,26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,17-,18+,19+,20-,22+,23+,24-/m1/s1
    • InChI Key： KNVADAPHVNKTEP-CIGXQKLNSA-N
    • SMILES： O[C@@H]1C[C@@H]2CC(CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@H]3[C@@H]21)=O

Computed Properties

  • Exact Mass: 390.27700969g/mol
  • Monoisotopic Mass: 390.27700969g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 4
  • Complexity: 645
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 9
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.5
  • Topological Polar Surface Area: 74.6?2

Experimental Properties

  • Color/Form: Solid
  • Density: 1.1±0.1 g/cm3
  • Melting Point: 88-90°C
  • Boiling Point: 545.9±25.0 °C at 760 mmHg
  • Flash Point: 298.0±19.7 °C
  • Vapor Pressure: 0.0±3.3 mmHg at 25°C

3-Oxo-7a-hydroxy-5b-cholanoic Acid Security Information

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(CAS:4185-00-6)EP Impurity J
Order Number:0220
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Quantity:100mg;500mg;1g
Purity:98%min
Pricing Information Last Updated:Thursday, 21 August 2025 16:52
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