3,7,12-Triketo-5β-cholanoic acid

CAS Registry Number®

81-23-2

CAS Name

3,7,12-Triketo-5β-cholanoic acid

Molecular Formula

C24H34O5

Molecular Mass

402.52

Cite this Page

3,7,12-Triketo-5β-cholanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=81-23-2 (retrieved 2024-11-22) (CAS RN: 81-23-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    237 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C24H34O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29)/t13-,14+,16-,17+,18+,22+,23+,24-/m1/s1

InChIKey

InChIKey=OHXPGWPVLFPUSM-KLRNGDHRSA-N

SMILES

O=C1[C@]2([C@]3([C@@](C)([C@@]([C@@H](CCC(O)=O)C)(CC3)[H])C(=O)C[C@@]2([C@]4(C)[C@](C1)(CC(=O)CC4)[H])[H])[H])[H]

Canonical SMILES

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

Other Names for this Substance

  • Cholan-24-oic acid, 3,7,12-trioxo-, (5β)-
  • 5β-Cholan-24-oic acid, 3,7,12-trioxo-
  • (5β)-3,7,12-Trioxocholan-24-oic acid
  • Acolen
  • Bilidren

View All

Deleted or Replaced CAS Registry Numbers

2604493-84-5, 2844461-58-9

CAS INSIGHTSTM
Targeted protein degrader structure, illustration