(3β,5β,12β)-3,12-Dihydroxycholan-24-oic acid
CAS Registry Number®
84848-09-9
CAS Name
(3β,5β,12β)-3,12-Dihydroxycholan-24-oic acidMolecular Formula
C24H40O4Molecular Mass
392.57Cite this Page
(3β,5β,12β)-3,12-Dihydroxycholan-24-oic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=84848-09-9 (retrieved ) (CAS RN: 84848-09-9). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17+,18-,19+,20+,21-,23+,24-/m1/s1
InChIKey
InChIKey=KXGVEGMKQFWNSR-BYGCHKRWSA-N
SMILES
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](CC3)(C[C@@H](O)CC4)[H])(C[C@H]1O)[H])[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H]
Canonical SMILES
O=C(O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C
Other Names for this Substance
- Cholan-24-oic acid, 3,12-dihydroxy-, (3β,5β,12β)-
- 5β-Cholanic acid, 3β,12β-dihydroxy-
- (3β,5β,12β)-3,12-Dihydroxycholan-24-oic acid
- 3β,12β-Dihydroxy-5β-cholanoic acid
- 3β,12β-Dihydroxy-5β-cholanic acid
Deleted or Replaced CAS Registry Numbers
121787-45-9
