(5β)-12-Oxocholan-24-oic acid

CAS Registry Number®

63042-31-9

CAS Name

(5β)-12-Oxocholan-24-oic acid

Molecular Formula

C24H38O3

Molecular Mass

374.56

Cite this Page

(5β)-12-Oxocholan-24-oic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=63042-31-9 (retrieved 2024-11-24) (CAS RN: 63042-31-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H38O3/c1-15(7-12-22(26)27)18-10-11-19-17-9-8-16-6-4-5-13-23(16,2)20(17)14-21(25)24(18,19)3/h15-20H,4-14H2,1-3H3,(H,26,27)/t15-,16+,17+,18-,19+,20+,23+,24-/m1/s1

InChIKey

InChIKey=RVGVSOKFBAOUCH-LDTZHDHYSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](CC3)(CCCC4)[H])(CC1=O)[H])[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H]

Canonical SMILES

O=C(O)CCC(C)C1CCC2C3CCC4CCCCC4(C)C3CC(=O)C12C

Other Names for this Substance

  • Cholan-24-oic acid, 12-oxo-, (5β)-
  • 5β-Cholanic acid, 12-oxo-
  • (5β)-12-Oxocholan-24-oic acid
  • 12-keto-5β-Cholan-24-oic acid

Deleted or Replaced CAS Registry Numbers

72264-98-3

CAS INSIGHTSTM
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