(3α,5β,7α,12α)-Cholestane-3,7,12,24,25-pentol

CAS Registry Number®

58469-95-7

CAS Name

(3α,5β,7α,12α)-Cholestane-3,7,12,24,25-pentol

Molecular Formula

C27H48O5

Molecular Mass

452.67

Cite this Page

(3α,5β,7α,12α)-Cholestane-3,7,12,24,25-pentol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=58469-95-7 (retrieved 2024-11-25) (CAS RN: 58469-95-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H48O5/c1-15(6-9-22(30)25(2,3)32)18-7-8-19-24-20(14-23(31)27(18,19)5)26(4)11-10-17(28)12-16(26)13-21(24)29/h15-24,28-32H,6-14H2,1-5H3/t15-,16+,17-,18-,19+,20+,21-,22?,23+,24+,26+,27-/m1/s1

InChIKey

InChIKey=NHPWQASMMFUHIZ-NXDIKTHASA-N

SMILES

O[C@H]1[C@]2([C@]3([C@@](C)([C@@]([C@@H](CCC(C(C)(C)O)O)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

OC1CCC2(C)C(C1)CC(O)C3C4CCC(C(C)CCC(O)C(O)(C)C)C4(C)C(O)CC32

Other Names for this Substance

  • Cholestane-3,7,12,24,25-pentol, (3α,5β,7α,12α)-
  • 5β-Cholestane-3α,7α,12α,24,25-pentol
  • (3α,5β,7α,12α)-Cholestane-3,7,12,24,25-pentol
  • 3α,7α,12α,24,25-Pentahydroxycoprostane

CAS INSIGHTSTM
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