5β-Cholestane-3α,7α,12α,25-tetrol

CAS Registry Number®

18866-87-0
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CAS Name

5β-Cholestane-3α,7α,12α,25-tetrol

Molecular Formula

C27H48O4

Molecular Mass

436.67

Cite this Page

5β-Cholestane-3α,7α,12α,25-tetrol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=18866-87-0 (retrieved 2024-07-08) (CAS RN: 18866-87-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    188-189 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H48O4/c1-16(7-6-11-25(2,3)31)19-8-9-20-24-21(15-23(30)27(19,20)5)26(4)12-10-18(28)13-17(26)14-22(24)29/h16-24,28-31H,6-15H2,1-5H3/t16-,17+,18-,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1

InChIKey

InChIKey=NTIXPPFPXLYJCT-RNUSRIHUSA-N

SMILES

O[C@H]1[C@]2([C@]3([C@@](C)([C@@]([C@@H](CCCC(C)(C)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)CCCC(O)(C)C)C4(C)C(O)CC32

Other Names for this Substance

  • Cholestane-3,7,12,25-tetrol, (3α,5β,7α,12α)-
  • 5β-Cholestane-3α,7α,12α,25-tetrol
  • (3α,5β,7α,12α)-Cholestane-3,7,12,25-tetrol
  • 3α,7α,12α,25-Tetrahydroxycoprostane