(20S)-3-Oxopregna-1,4-diene-20-carboxylic acid

CAS Registry Number®

20248-18-4

CAS Name

(20S)-3-Oxopregna-1,4-diene-20-carboxylic acid

Molecular Formula

C22H30O3

Molecular Mass

342.47

Cite this Page

(20S)-3-Oxopregna-1,4-diene-20-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=20248-18-4 (retrieved 2024-11-12) (CAS RN: 20248-18-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H30O3/c1-13(20(24)25)17-6-7-18-16-5-4-14-12-15(23)8-10-21(14,2)19(16)9-11-22(17,18)3/h8,10,12-13,16-19H,4-7,9,11H2,1-3H3,(H,24,25)/t13-,16-,17+,18-,19-,21-,22+/m0/s1

InChIKey

InChIKey=OZESBBVMFLIODA-WAMTXRNCSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(CC3)=CC(=O)C=C4)(CC1)[H])[H])(CC[C@@]2([C@@H](C(O)=O)C)[H])[H]

Canonical SMILES

O=C1C=CC2(C(=C1)CCC3C2CCC4(C)C(CCC34)C(C(=O)O)C)C

Other Names for this Substance

  • Pregna-1,4-diene-20-carboxylic acid, 3-oxo-, (20S)-
  • Pregna-1,4-diene-20α-carboxylic acid, 3-oxo-
  • (20S)-3-Oxopregna-1,4-diene-20-carboxylic acid
  • 3-Oxo-23,24-dinor-1,4-choladienic acid

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles