7α-Hydroxy-3-oxo-4-cholestenoic acid

CAS Registry Number®

115538-85-7

CAS Name

7α-Hydroxy-3-oxo-4-cholestenoic acid

Molecular Formula

C27H42O4

Molecular Mass

430.62

Cite this Page

7α-Hydroxy-3-oxo-4-cholestenoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=115538-85-7 (retrieved 2024-11-28) (CAS RN: 115538-85-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H42O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h14,16-17,20-24,29H,5-13,15H2,1-4H3,(H,30,31)/t16-,17?,20-,21+,22+,23-,24+,26+,27-/m1/s1

InChIKey

InChIKey=SATGKQGFUDXGAX-MYWFJNCASA-N

SMILES

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

Canonical SMILES

O=C1C=C2CC(O)C3C(CCC4(C)C(CCC34)C(C)CCCC(C(=O)O)C)C2(C)CC1

Other Names for this Substance

  • Cholest-4-en-26-oic acid, 7-hydroxy-3-oxo-, (7α)-
  • (7α)-7-Hydroxy-3-oxocholest-4-en-26-oic acid
  • 7α-Hydroxy-3-oxo-4-cholestenoic acid
  • 7α-Hydroxy-3-oxocholest-4-en-26-oic acid

CAS INSIGHTSTM
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