(3α,5β,7α,12α)-3,12-Dihydroxy-7-(sulfooxy)cholan-24-oic acid
CAS Registry Number®
60320-05-0
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CAS Name
(3α,5β,7α,12α)-3,12-Dihydroxy-7-(sulfooxy)cholan-24-oic acidMolecular Formula
C24H40O8SMolecular Mass
488.63Cite this Page
(3α,5β,7α,12α)-3,12-Dihydroxy-7-(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=60320-05-0 (retrieved ) (CAS RN: 60320-05-0). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C24H40O8S/c1-13(4-7-21(27)28)16-5-6-17-22-18(12-20(26)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)32-33(29,30)31/h13-20,22,25-26H,4-12H2,1-3H3,(H,27,28)(H,29,30,31)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
InChIKey
InChIKey=RRVLNNMINXAIKC-OELDTZBJSA-N
SMILES
O(S(=O)(=O)O)[C@H]1[C@]2([C@]3([C@@](C)([C@@]([C@@H](CCC(O)=O)C)(CC3)[H])[C@@H](O)C[C@@]2([C@]4(C)[C@](C1)(C[C@H](O)CC4)[H])[H])[H])[H]
Canonical SMILES
O=C(O)CCC(C)C1CCC2C3C(OS(=O)(=O)O)CC4CC(O)CCC4(C)C3CC(O)C12C
Other Names for this Substance
- Cholan-24-oic acid, 3,12-dihydroxy-7-(sulfooxy)-, (3α,5β,7α,12α)-
- (3α,5β,7α,12α)-3,12-Dihydroxy-7-(sulfooxy)cholan-24-oic acid
- Cholic acid 7-sulfate
- 7-Sulfocholic acid
