Cas no 30634-98-1 (Hyo-desoxycholsaeure)

Hyo-desoxycholsaeure structure
Hyo-desoxycholsaeure structure
Product Name:Hyo-desoxycholsaeure
CAS No:30634-98-1
MF:C24H40O4
MW:392.572008132935
CID:2008942
PubChem ID:9963687
Update Time:2025-04-21

Hyo-desoxycholsaeure Chemical and Physical Properties

Names and Identifiers

    • Hyo-desoxycholsaeure
    • 7-Deoxyhyocholate
    • (4R)-4-[(3R,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
    • (3
    • A,6
    • A)-3,6-dihydroxycholan-24-oic acid
    • 3a,6a-Dihydroxy-5b-cholanate
    • SCHEMBL207644
    • 30634-98-1
    • 6a-Hydroxylithocholic acid
    • alpha-Hyodeoxycholic acid
    • 3a,6a-Dihydroxy-5b-cholan-24-oate
    • Hyodesoxycholate
    • 6a-Hydroxylithocholate
    • a-Hyodeoxycholate
    • 3a,6a-dihydroxycholanic acid
    • alpha-Hyodeoxycholate
    • Iodeoxycholate
    • 3a,6a-Dihydroxy-5b-cholanoate
    • 3a,6a-Dihydroxy-5b-cholan-24-oic acid
    • 3a,6a-Dihydroxy-5b-cholanic acid
    • 3a,6a-Dihydroxy-5b-cholanoic acid
    • MDL: MFCD29050285
    • 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-CDONHWFASA-N
    • SMILES: O[C@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@H]32)[C@@]2(C)CC[C@H](CC21)O

Computed Properties

  • Exact Mass: 392.29265975Da
  • Monoisotopic Mass: 392.29265975Da
  • 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: 9
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.9
  • Topological Polar Surface Area: 77.8?2

Experimental Properties

  • LogP: 3.08
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