Cholestane-3β,5α,6β-triol

CAS Registry Number®

1253-84-5

CAS Name

Cholestane-3β,5α,6β-triol

Molecular Formula

C27H48O3

Molecular Mass

420.67

Cite this Page

Cholestane-3β,5α,6β-triol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1253-84-5 (retrieved 2024-11-21) (CAS RN: 1253-84-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    217-218 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H48O3/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(29)27(30)16-19(28)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,28-30H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,25-,26-,27+/m1/s1

InChIKey

InChIKey=YMMFNKXZULYSOQ-RUXQDQFYSA-N

SMILES

C[C@@]12[C@@]3([C@]([C@]4([C@](C)(CC3)[C@@]([C@@H](CCCC(C)C)C)(CC4)[H])[H])(C[C@@H](O)[C@@]1(O)C[C@@H](O)CC2)[H])[H]

Canonical SMILES

OC1CCC2(C)C3CCC4(C)C(CCC4C3CC(O)C2(O)C1)C(C)CCCC(C)C

Other Names for this Substance

  • Cholestane-3,5,6-triol, (3β,5α,6β)-
  • 5α-Cholestane-3β,5,6β-triol
  • (3β,5α,6β)-Cholestane-3,5,6-triol
  • Cholestane-3β,5α,6β-triol
  • Cholesta-3β,5α,6β-triol

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Deleted or Replaced CAS Registry Numbers

72879-16-4, 115510-05-9, 2023759-81-9

CAS INSIGHTSTM
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