Cas no 517-33-9 (3-Hydroxy-7,12-diketocholanoic Acid)

3-Hydroxy-7,12-diketocholanoic Acid is a bile acid derivative characterized by its hydroxyl and keto functional groups at positions 3, 7, and 12 of the cholanoic acid backbone. This compound is of interest in biochemical and pharmaceutical research due to its role as an intermediate in bile acid metabolism and potential applications in studying metabolic pathways. Its structural features make it useful for investigating enzyme specificity, oxidative processes, and bile acid biosynthesis. The presence of multiple functional groups allows for selective modifications, enabling its use in synthetic chemistry and drug development. High purity grades ensure reliability in experimental and analytical applications.
3-Hydroxy-7,12-diketocholanoic Acid structure
517-33-9 structure
Product Name:3-Hydroxy-7,12-diketocholanoic Acid
CAS No:517-33-9
MF:C24H36O5
MW:404.53964
CID:371604
PubChem ID:3080560
Update Time:2025-05-28

3-Hydroxy-7,12-diketocholanoic Acid Chemical and Physical Properties

Names and Identifiers

    • Cholan-24-oic acid,3-hydroxy-7,12-dioxo-, (3a,5b)-
    • 3-Hydroxy-7,12-diketocholanoic acid
    • 3α-hydroxy-7,12-dioxo-5β-cholan-24-oic acid
    • 517-33-9
    • 3alpha-hydroxy-7,12-dioxo-5beta-cholanoic acid
    • 5beta-Cholanic acid-3alpha-ol-7,12-dione
    • LMST04010192
    • SCHEMBL6705473
    • (4R)-4-[(8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7,12-dioxo-2,3,4,5,6,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
    • 7,12-Diketolithocholic acid
    • 3alpha-Hydroxy-7,12-diketo-5beta-cholanoic acid
    • MAFJMPFLJJCSTB-FQBQTYDJSA-N
    • 7,12-Dioxolithocholic acid
    • PD143454
    • 3-Hydroxy-7,12-dioxocholan-24-oic acid
    • Cholan-24-oic acid, 3-hydroxy-7,12-dioxo-, (3alpha,5beta)-
    • Q63409587
    • CHEBI:138389
    • DTXSID60965969
    • (3alpha,5beta)-3-hydroxy-7,12-dioxocholan-24-oic acid
    • (4R)-4-[(3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7,12-dioxo-2,3,4,5,6,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
    • 7,12-Diketo-LCA
    • 5?-CHOLANIC ACID-3?-OL-7_12-DIONE
    • 3-Hydroxy-7,12-dioxocholan-24-oic acid #
    • 3alpha-Hydroxy-7,12-dioxo-5beta-cholan-24-oic Acid
    • 3-Hydroxy-7,12-diketocholanoic Acid
    • Inchi： InChI=1S/C24H36O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-18,22,25H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,22+,23+,24-/m1/s1
    • InChI Key： MAFJMPFLJJCSTB-FQBQTYDJSA-N
    • SMILES： CC(CCC(=O)O)C1CCC2C1(C(=O)CC3C2C(=O)CC4C3(CCC(C4)O)C)C

Computed Properties

  • Exact Mass: 404.25638
  • Monoisotopic Mass: 404.25627424g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 4
  • Complexity: 716
  • 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: 3
  • Topological Polar Surface Area: 91.7?2

Experimental Properties

  • PSA: 91.67

3-Hydroxy-7,12-diketocholanoic Acid Pricemore >>

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3-Hydroxy-7,12-diketocholanoic Acid Suppliers

SHOCHEM(SHANGHAI) CO.,lTD
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(CAS:517-33-9)3α-hydroxy-7,12-dioxo-5β-cholan-24-oic acid
Order Number:0254
Stock Status:in Stock
Quantity:100mg;500mg;1g
Purity:98%min
Pricing Information Last Updated:Thursday, 21 August 2025 16:53
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(CAS:517-33-9)3α-hydroxy-7,12-dioxo-5β-cholan-24-oic acid
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