3β,4β,7α,12α-Tetrahydroxy-5β-cholan-24-oic acid

CAS Registry Number®

129099-70-3

CAS Name

3β,4β,7α,12α-Tetrahydroxy-5β-cholan-24-oic acid

Molecular Formula

C24H40O6

Molecular Mass

424.57

Cite this Page

3β,4β,7α,12α-Tetrahydroxy-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=129099-70-3 (retrieved 2025-03-09) (CAS RN: 129099-70-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    148-149 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C24H40O6/c1-12(4-7-20(28)29)13-5-6-14-21-15(11-19(27)24(13,14)3)23(2)9-8-17(25)22(30)16(23)10-18(21)26/h12-19,21-22,25-27,30H,4-11H2,1-3H3,(H,28,29)/t12-,13-,14+,15+,16-,17+,18-,19+,21+,22-,23-,24-/m1/s1

InChIKey

InChIKey=WGGZRKVUOFMQHM-VCELIZGUSA-N

SMILES

O[C@H]1[C@@]2([C@@]([C@]3(C)[C@](C1)([C@@H](O)[C@@H](O)CC3)[H])(C[C@H](O)[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(O)CC4C(O)C(O)CCC4(C)C3CC(O)C12C

Other Names for this Substance

  • Cholan-24-oic acid, 3,4,7,12-tetrahydroxy-, (3β,4β,5β,7α,12α)-
  • (3β,4β,5β,7α,12α)-3,4,7,12-Tetrahydroxycholan-24-oic acid
  • 3β,4β,7α,12α-Tetrahydroxy-5β-cholanoic acid
  • 3β,4β,7α,12α-Tetrahydroxy-5β-cholan-24-oic acid

CAS INSIGHTSTM
Electric car lithium battery pack and power connections