(3α,5β,7α,12α)-3,7,12,19-Tetrahydroxycholan-24-oic acid

CAS Registry Number®

171524-64-4
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CAS Name

(3α,5β,7α,12α)-3,7,12,19-Tetrahydroxycholan-24-oic acid

Molecular Formula

C24H40O6

Molecular Mass

424.57

Cite this Page

(3α,5β,7α,12α)-3,7,12,19-Tetrahydroxycholan-24-oic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=171524-64-4 (retrieved 2024-09-19) (CAS RN: 171524-64-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H40O6/c1-13(3-6-21(29)30)16-4-5-17-22-18(11-20(28)23(16,17)2)24(12-25)8-7-15(26)9-14(24)10-19(22)27/h13-20,22,25-28H,3-12H2,1-2H3,(H,29,30)/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23-,24-/m1/s1

InChIKey

InChIKey=RFSKRKUKTCLIAV-OWXKUJNZSA-N

SMILES

C(O)[C@@]12[C@@]3([C@]([C@]4([C@](C)([C@@H](O)C3)[C@@]([C@@H](CCC(O)=O)C)(CC4)[H])[H])([C@H](O)C[C@@]1(C[C@H](O)CC2)[H])[H])[H]

Canonical SMILES

O=C(O)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(CO)C3CC(O)C12C

Other Names for this Substance

  • Cholan-24-oic acid, 3,7,12,19-tetrahydroxy-, (3α,5β,7α,12α)-
  • (3α,5β,7α,12α)-3,7,12,19-Tetrahydroxycholan-24-oic acid
  • 3α,7α,12α,19-Tetrahydroxy-5β-cholan-24-oic acid