Cholan-24-oic acid, 3,12-dihydroxy-, sodium salt, hydrate (1:1:1), (3α,5β,12α)-
CAS Registry Number®
145224-92-6
CAS Name
Cholan-24-oic acid, 3,12-dihydroxy-, sodium salt, hydrate (1:1:1), (3α,5β,12α)-Molecular Formula
C24H40O4.H2O.NaCite this Page
Cholan-24-oic acid, 3,12-dihydroxy-, sodium salt, hydrate (1:1:1), (3α,5β,12α)-. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=145224-92-6 (retrieved ) (CAS RN: 145224-92-6). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C24H40O4.Na.H2O/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);;1H2/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-;;/m1../s1
InChIKey
InChIKey=HKLBTQUQYACMJN-WTCAICSISA-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].[Na].O
Canonical SMILES
[Na].O=C(O)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C.O
Other Names for this Substance
- Cholan-24-oic acid, 3,12-dihydroxy-, sodium salt, hydrate (1:1:1), (3α,5β,12α)-
- Cholan-24-oic acid, 3,12-dihydroxy-, monosodium salt, monohydrate, (3α,5β,12α)-
