3-Oxochola-4,6-dien-24-oic acid

CAS Registry Number®

88179-71-9
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CAS Name

3-Oxochola-4,6-dien-24-oic acid

Molecular Formula

C24H34O3

Molecular Mass

370.52

Cite this Page

3-Oxochola-4,6-dien-24-oic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=88179-71-9 (retrieved 2024-05-13) (CAS RN: 88179-71-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H34O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h5-6,14-15,18-21H,4,7-13H2,1-3H3,(H,26,27)/t15-,18+,19-,20+,21+,23+,24-/m1/s1

InChIKey

InChIKey=CREVIXFSUWYGRJ-IHMUCKAYSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(C=C3)=CC(=O)CC4)(CC1)[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)C3CCC21C

Other Names for this Substance

  • Chola-4,6-dien-24-oic acid, 3-oxo-
  • 3-Oxochola-4,6-dien-24-oic acid
  • 3-Oxo-4,6-choladien-24-oic acid

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