2β,3α,7α-Trihydroxy-5β-cholan-24-oic acid
CAS Registry Number®
133565-87-4
CAS Name
2β,3α,7α-Trihydroxy-5β-cholan-24-oic acidMolecular Formula
C24H40O5Molecular Mass
408.57Cite this Page
2β,3α,7α-Trihydroxy-5β-cholan-24-oic acid. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=133565-87-4 (retrieved ) (CAS RN: 133565-87-4). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C24H40O5/c1-13(4-7-21(28)29)15-5-6-16-22-17(8-9-23(15,16)2)24(3)12-20(27)18(25)10-14(24)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16+,17+,18+,19-,20+,22+,23-,24+/m1/s1
InChIKey
InChIKey=NVTDAUYTNRUBQY-QCICEKRZSA-N
SMILES
C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CCC(O)=O)C)(CC4)[H])[H])([C@H](O)C[C@@]1(C[C@H](O)[C@@H](O)C2)[H])[H])[H]
Canonical SMILES
O=C(O)CCC(C)C1CCC2C3C(O)CC4CC(O)C(O)CC4(C)C3CCC12C
Other Names for this Substance
- Cholan-24-oic acid, 2,3,7-trihydroxy-, (2β,3α,5β,7α)-
- (2β,3α,5β,7α)-2,3,7-Trihydroxycholan-24-oic acid
- 2β,3α,7α-Trihydroxy-5β-cholan-24-oic acid