(3α,5β,6β,7β,12α)-3,6,7,12-Tetrahydroxycholan-24-oic acid

CAS Registry Number®

75110-48-4

CAS Name

(3α,5β,6β,7β,12α)-3,6,7,12-Tetrahydroxycholan-24-oic acid

Molecular Formula

C24H40O6

Molecular Mass

424.57

Cite this Page

(3α,5β,6β,7β,12α)-3,6,7,12-Tetrahydroxycholan-24-oic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=75110-48-4 (retrieved 2025-03-09) (CAS RN: 75110-48-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    233 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=COCMFMBNEAMQMA-KREOYVNCSA-N

SMILES

C[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@@H](O)[C@@]1(C[C@H](O)CC2)[H])[H])[H]

Canonical SMILES

O=C(O)CCC(C)C1CCC2C3C(O)C(O)C4CC(O)CCC4(C)C3CC(O)C12C

Other Names for this Substance

  • Cholan-24-oic acid, 3,6,7,12-tetrahydroxy-, (3α,5β,6β,7β,12α)-
  • 5β-Cholanic acid, 3α,6β,7β,12α-tetrahydroxy-
  • (3α,5β,6β,7β,12α)-3,6,7,12-Tetrahydroxycholan-24-oic acid
  • 3α,6β,7β,12α-Tetrahydroxy-5β-cholanoic acid
  • 3α,6β,7β,12α-Tetrahydroxy-5β-cholan-24-oic acid

CAS INSIGHTSTM
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