12α-Hydroxy-3-oxo-4,6-choladien-24-oic acid

CAS Registry Number®

13535-96-1

CAS Name

12α-Hydroxy-3-oxo-4,6-choladien-24-oic acid

Molecular Formula

C24H34O4

Molecular Mass

386.52

Cite this Page

12α-Hydroxy-3-oxo-4,6-choladien-24-oic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=13535-96-1 (retrieved 2024-11-04) (CAS RN: 13535-96-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    252-254 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C24H34O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h5-6,12,14,17-21,26H,4,7-11,13H2,1-3H3,(H,27,28)/t14-,17+,18-,19+,20+,21+,23+,24-/m1/s1

InChIKey

InChIKey=DJVAMCYXFUWMLS-QUPGBHKMSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(C=C3)=CC(=O)CC4)(C[C@@H]1O)[H])[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H]

Canonical SMILES

O=C(O)CCC(C)C1CCC2C3C=CC4=CC(=O)CCC4(C)C3CC(O)C21C

Other Names for this Substance

  • Chola-4,6-dien-24-oic acid, 12-hydroxy-3-oxo-, (12α)-
  • Chola-4,6-dienic acid, 12α-hydroxy-3-oxo-
  • (12α)-12-Hydroxy-3-oxochola-4,6-dien-24-oic acid
  • 12α-Hydroxy-3-oxochola-4,6-dienic acid
  • 12α-Hydroxy-3-oxo-4,6-choladien-24-oic acid

Deleted or Replaced CAS Registry Numbers

101799-27-3

CAS INSIGHTSTM
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