Cholestan-26-oic acid, 3,7,12-trihydroxy-, (3β,5β,7α,12α)-

CAS Registry Number®

78608-74-9

CAS Name

Cholestan-26-oic acid, 3,7,12-trihydroxy-, (3β,5β,7α,12α)-

Molecular Formula

C27H46O5

Molecular Mass

450.65

Cite this Page

Cholestan-26-oic acid, 3,7,12-trihydroxy-, (3β,5β,7α,12α)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=78608-74-9 (retrieved 2024-11-25) (CAS RN: 78608-74-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H46O5/c1-15(6-5-7-16(2)25(31)32)19-8-9-20-24-21(14-23(30)27(19,20)4)26(3)11-10-18(28)12-17(26)13-22(24)29/h15-24,28-30H,5-14H2,1-4H3,(H,31,32)/t15-,16?,17+,18+,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1

InChIKey

InChIKey=CNWPIIOQKZNXBB-XTZASNGSSA-N

SMILES

O[C@H]1[C@]2([C@]3([C@@](C)([C@@]([C@@H](CCCC(C(O)=O)C)C)(CC3)[H])[C@@H](O)C[C@@]2([C@]4(C)[C@](C1)(C[C@@H](O)CC4)[H])[H])[H])[H]

Canonical SMILES

O=C(O)C(C)CCCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C

Other Names for this Substance

  • Cholestan-26-oic acid, 3,7,12-trihydroxy-, (3β,5β,7α,12α)-

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