Cas no 16265-24-0 (3-Keto-7a,12a-dihydroxy-5a-cholanic Acid)

3-Keto-7a,12a-dihydroxy-5a-cholanic Acid structure
16265-24-0 structure
Product Name:3-Keto-7a,12a-dihydroxy-5a-cholanic Acid
CAS No:16265-24-0
MF:C24H38O5
MW:406.55552816391
CID:824963
PubChem ID:5283957
Update Time:2025-04-19

3-Keto-7a,12a-dihydroxy-5a-cholanic Acid Chemical and Physical Properties

Names and Identifiers

    • 3-Keto-7α,12α-dihydroxy-5α-cholanic Acid
    • 3-keto allocholic acid
    • 3-KETO-7A,12A-DIHYDROXY-5A-CHOLANIC ACID
    • 3-Keto-7Alpha,12Alpha-dihydroxy-5Alpha-cholanic Acid
    • CHEBI:181124
    • Cholan-24-oic acid, 7,12-dihydroxy-3-oxo-, (5alpha,7alpha,12alpha)-
    • J-009963
    • LMST04010191
    • AKOS030241127
    • DB-228679
    • 3-Keto-7 alpha ,12 alpha -dihydroxy-5 alpha -cholanic Acid
    • (4R)-4-[(5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-dihydroxy-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
    • 7alpha,12alpha-dihydroxy-5alpha-cholan-3-one-24-oic acid
    • SCHEMBL6322378
    • 7alpha,12alpha-Dihydroxy-3-oxo-5alpha-cholan-24-oic Acid
    • 3-Ketoallocholic Acid; (5?,7?,12?)-7,12-Dihydroxy-3-oxo-cholan-24-oic Acid; 5?,7?,12?-Dihydroxy-3-oxocholanic Acid;
    • 3-Keto-7?,12?-dihydroxy-5?-cholanic Acid
    • 16265-24-0
    • '(4R)-4-((5S,7R,8R,9S,10S,12S,13R,17R)-7,12-dihydroxy-10,13-dimethyl-3-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid'
    • 3-Keto-7a,12a-dihydroxy-5a-cholanic Acid
    • Inchi： 1S/C24H38O5/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/h13-14,16-20,22,26-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
    • InChI Key： OEKUSRBIIZNLHZ-DXTOHYNYSA-N
    • SMILES： O[C@H]1C[C@@H]2[C@@]3(C)CCC(C[C@@H]3C[C@H]([C@H]2[C@@H]2CC[C@H]([C@H](C)CCC(=O)O)[C@]21C)O)=O

Computed Properties

  • Exact Mass: 406.27200
  • Monoisotopic Mass: 406.27192431g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 4
  • Complexity: 676
  • 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
  • XLogP3: 3.2
  • Topological Polar Surface Area: 94.8?2

Experimental Properties

  • Melting Point: 218-221°C
  • PSA: 94.83000
  • LogP: 3.65690

3-Keto-7a,12a-dihydroxy-5a-cholanic Acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
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3-Keto-7a,12a-dihydroxy-5a-cholanic Acid
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3-Keto-7a,12a-dihydroxy-5a-cholanic Acid Production Method

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