5β-Cholestane-3α,7α,12α,26-tetrol

CAS Registry Number®

862-53-3
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CAS Name

5β-Cholestane-3α,7α,12α,26-tetrol

Molecular Formula

C27H48O4

Molecular Mass

436.67

Cite this Page

5β-Cholestane-3α,7α,12α,26-tetrol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=862-53-3 (retrieved 2024-09-19) (CAS RN: 862-53-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    232 °C

Source(s)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=XJZGNVBLVFOSKJ-XZULNKEGSA-N

SMILES

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

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

Other Names for this Substance

  • Cholestane-3,7,12,26-tetrol, (3α,5β,7α,12α)-
  • 5β-Cholestane-3α,7α,12α,26-tetrol
  • (3α,5β,7α,12α)-Cholestane-3,7,12,26-tetrol
  • 3α,7α,12α,26-Tetrahydroxy-5β-cholestane
  • 27-Deoxy-5β-cyprinol