5β-Cholestane-3α,7α,12α-triol

CAS Registry Number®

547-96-6

CAS Name

5β-Cholestane-3α,7α,12α-triol

Molecular Formula

C27H48O3

Molecular Mass

420.67

Cite this Page

5β-Cholestane-3α,7α,12α-triol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=547-96-6 (retrieved 2024-11-21) (CAS RN: 547-96-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    186-187.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H48O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h16-25,28-30H,6-15H2,1-5H3/t17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1

InChIKey

InChIKey=RIVQQZVHIVNQFH-XJZYBRFWSA-N

SMILES

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

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

Other Names for this Substance

  • Cholestane-3,7,12-triol, (3α,5β,7α,12α)-
  • 5β-Cholestane-3α,7α,12α-triol
  • (3α,5β,7α,12α)-Cholestane-3,7,12-triol
  • Trihydroxycoprostane
  • 3α,7α,12α-Trihydroxycoprostane

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CAS INSIGHTSTM
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