Cas no 15238-52-5 (24-Norcholan-23-oicacid, 3-hydroxy-, (3b,5a)- (9CI))

24-Norcholan-23-oicacid, 3-hydroxy-, (3b,5a)- (9CI) structure
15238-52-5 structure
Product Name:24-Norcholan-23-oicacid, 3-hydroxy-, (3b,5a)- (9CI)
CAS No:15238-52-5
MF:C23H38O3
MW:362.54602766037
CID:204561
PubChem ID:3082085
Update Time:2025-04-19

24-Norcholan-23-oicacid, 3-hydroxy-, (3b,5a)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 24-Norcholan-23-oicacid, 3-hydroxy-, (3b,5a)- (9CI)
    • (3R)-3-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoic acid
    • 24-norlithocholic acid
    • (3R)-3-[(3S,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl]butanoic acid (non-preferred name)
    • 24-Norcholan-23-oic acid, 3-hydroxy-, (3beta,5alpha)-
    • 15238-52-5
    • Inchi： 1S/C23H38O3/c1-14(12-21(25)26)18-6-7-19-17-5-4-15-13-16(24)8-10-22(15,2)20(17)9-11-23(18,19)3/h14-20,24H,4-13H2,1-3H3,(H,25,26)/t14-,15+,16+,17+,18-,19+,20+,22+,23-/m1/s1
    • InChI Key： BIGINLZPDKMEPQ-ZZAVNFEKSA-N
    • SMILES： O[C@H]1CC[C@@]2(C)[C@H](C1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CC(=O)O)CC[C@H]21

Computed Properties

  • Exact Mass: 362.282
  • Monoisotopic Mass: 362.282
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 3
  • Complexity: 560
  • 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: 5.9
  • Topological Polar Surface Area: 57.5?2

Experimental Properties

  • Density: 1.084
  • Boiling Point: 499.4°C at 760 mmHg
  • Flash Point: 269.9°C
  • Refractive Index: 1.53

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