(3α,5β,12α)-3,12-Bis(sulfooxy)cholan-24-oic acid
CAS Registry Number®
67030-51-7
CAS Name
(3α,5β,12α)-3,12-Bis(sulfooxy)cholan-24-oic acidMolecular Formula
C24H40O10S2Molecular Mass
552.70Cite this Page
(3α,5β,12α)-3,12-Bis(sulfooxy)cholan-24-oic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=67030-51-7 (retrieved ) (CAS RN: 67030-51-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C24H40O10S2/c1-14(4-9-22(25)26)18-7-8-19-17-6-5-15-12-16(33-35(27,28)29)10-11-23(15,2)20(17)13-21(24(18,19)3)34-36(30,31)32/h14-21H,4-13H2,1-3H3,(H,25,26)(H,27,28,29)(H,30,31,32)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1
InChIKey
InChIKey=BYHNMIVTBIJJFZ-LLQZFEROSA-N
SMILES
C[C@@]12[C@]([C@]3([C@](C[C@@H]1OS(=O)(=O)O)([C@]4(C)[C@](CC3)(C[C@H](OS(=O)(=O)O)CC4)[H])[H])[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H]
Canonical SMILES
O=C(O)CCC(C)C1CCC2C3CCC4CC(OS(=O)(=O)O)CCC4(C)C3CC(OS(=O)(=O)O)C12C
Other Names for this Substance
- Cholan-24-oic acid, 3,12-bis(sulfooxy)-, (3α,5β,12α)-
- (3α,5β,12α)-3,12-Bis(sulfooxy)cholan-24-oic acid
- Deoxycholic acid disulfate
