Cas no 28332-53-8 (Cholan-24-oic acid,3,7-dioxo- (8CI,9CI))

Cholan-24-oic acid,3,7-dioxo- (8CI,9CI) structure
28332-53-8 structure
Product Name:Cholan-24-oic acid,3,7-dioxo- (8CI,9CI)
CAS No:28332-53-8
MF:C24H36O4
MW:388.540247917175
CID:271890
PubChem ID:3082288
Update Time:2025-04-19

Cholan-24-oic acid,3,7-dioxo- (8CI,9CI) Chemical and Physical Properties

Names and Identifiers

    • Cholan-24-oic acid,3,7-dioxo- (8CI,9CI)
    • 3-(5-{[1-(3-chloro-4-fluorophenyl)-3,5-dioxo-1,2-diazolidin-4-ylidene]methyl}- 2-furyl)benzoic acid
    • 3.6-Divinyl-1.2.3.4.5.6-hexaphenyl-1.2.4.5-tetraaza-3,6-disilacyclohexan
    • 3.7-Diketocholansaeure
    • AC1LOXJA
    • BIM-0009008.P001
    • SMSF0010888
    • ST041999
    • 3,7-Dioxocholan-24-oic acid
    • 3,7-dioxo-5 beta-cholanoic acid
    • (4R)-4-[(8R, 9S, 10S, 13R, 14S, 17R)-10, 13-dimethyl-3, 7-dioxo-2, 4, 5, 6, 8, 9, 11, 12, 14, 15, 16, 17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
    • 3,7-Dioxocholanoic acid
    • Cholan-24-oic acid, 3,7-dioxo-
    • 3,7-Doca
    • 28332-53-8
    • (4R)-4-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-dioxo-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
    • DTXSID20951025
    • 3,7-Diketo-5beta-cholan-24-oic acid
    • SCHEMBL1656564
    • Inchi： 1S/C24H36O4/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/h14-15,17-19,22H,4-13H2,1-3H3,(H,27,28)/t14-,15?,17-,18+,19+,22+,23+,24-/m1/s1
    • InChI Key： IOOKJGQHLHXYEF-LXLZRLDFSA-N
    • SMILES： O=C1CC2CC(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: 388.26148
  • Monoisotopic Mass: 388.26135963g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 4
  • Complexity: 684
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 7
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.2
  • Topological Polar Surface Area: 71.4?2

Experimental Properties

  • PSA: 71.44

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