(3β,7α)-3,7-Dihydroxycholest-5-en-26-oic acid

CAS Registry Number®

115538-84-6
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CAS Name

(3β,7α)-3,7-Dihydroxycholest-5-en-26-oic acid

Molecular Formula

C27H44O4

Molecular Mass

432.64

Cite this Page

(3β,7α)-3,7-Dihydroxycholest-5-en-26-oic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=115538-84-6 (retrieved 2024-09-11) (CAS RN: 115538-84-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H44O4/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/h15-17,19-24,28-29H,5-14H2,1-4H3,(H,30,31)/t16-,17?,19+,20-,21+,22+,23-,24+,26+,27-/m1/s1

InChIKey

InChIKey=GYJSAWZGYQXRBS-GRJZKGIBSA-N

SMILES

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

Canonical SMILES

O=C(O)C(C)CCCC(C)C1CCC2C3C(O)C=C4CC(O)CCC4(C)C3CCC12C

Other Names for this Substance

  • Cholest-5-en-26-oic acid, 3,7-dihydroxy-, (3β,7α)-
  • (3β,7α)-3,7-Dihydroxycholest-5-en-26-oic acid
  • 3β,7α-Dihydroxy-5-cholestenoic acid
  • 3β,7α-Dihydroxycholest-5-en-27-oic acid
  • 3β,7α-Dihydroxycholest-5-en-26-oic acid