(5α,25S)-3-Oxocholest-7-en-26-oic acid

CAS Registry Number®

949004-12-0

CAS Name

(5α,25S)-3-Oxocholest-7-en-26-oic acid

Molecular Formula

C27H42O3

Molecular Mass

414.62

Cite this Page

(5α,25S)-3-Oxocholest-7-en-26-oic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=949004-12-0 (retrieved 2024-11-29) (CAS RN: 949004-12-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    143 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H42O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h9,17-19,22-24H,5-8,10-16H2,1-4H3,(H,29,30)/t17-,18+,19+,22-,23+,24+,26+,27-/m1/s1

InChIKey

InChIKey=SQTAVUCHOVVOFD-OBRBSRNPSA-N

SMILES

C[C@@]12[C@](C=3[C@@]([C@]4(C)[C@@](CC3)(CC(=O)CC4)[H])(CC1)[H])(CC[C@@]2([C@@H](CCC[C@@H](C(O)=O)C)C)[H])[H]

Canonical SMILES

O=C(O)C(C)CCCC(C)C1CCC2C3=CCC4CC(=O)CCC4(C)C3CCC21C

Other Names for this Substance

  • Cholest-7-en-26-oic acid, 3-oxo-, (5α,25S)-
  • (5α,25S)-3-Oxocholest-7-en-26-oic acid
  • Dafachronic acid A
  • 3-keto-7,(5α)-Cholestenoic acid
  • Δ7-Dafachronic acid

Deleted or Replaced CAS Registry Numbers

888499-69-2

CAS INSIGHTSTM
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