(3α,5β,7α)-3,7-Bis(sulfooxy)cholan-24-oic acid
CAS Registry Number®
60262-91-1
CAS Name
(3α,5β,7α)-3,7-Bis(sulfooxy)cholan-24-oic acidMolecular Formula
C24H40O10S2Molecular Mass
552.70Cite this Page
(3α,5β,7α)-3,7-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=60262-91-1 (retrieved ) (CAS RN: 60262-91-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C24H40O10S2/c1-14(4-7-21(25)26)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(33-35(27,28)29)12-15(23)13-20(22)34-36(30,31)32/h14-20,22H,4-13H2,1-3H3,(H,25,26)(H,27,28,29)(H,30,31,32)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1
InChIKey
InChIKey=BWXSDJHAJWTEAD-BSWAIDMHSA-N
SMILES
O(S(=O)(=O)O)[C@H]1[C@@]2([C@@]([C@]3(C)[C@](C1)(C[C@H](OS(=O)(=O)O)CC3)[H])(CC[C@@]4(C)[C@]2(CC[C@@]4([C@@H](CCC(O)=O)C)[H])[H])[H])[H]
Canonical SMILES
O=C(O)CCC(C)C1CCC2C3C(OS(=O)(=O)O)CC4CC(OS(=O)(=O)O)CCC4(C)C3CCC12C
Other Names for this Substance
- Cholan-24-oic acid, 3,7-bis(sulfooxy)-, (3α,5β,7α)-
- (3α,5β,7α)-3,7-Bis(sulfooxy)cholan-24-oic acid
- Chenodeoxycholic acid disulfate
