Allocholesterol

CAS Registry Number®

517-10-2
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CAS Name

Allocholesterol

Molecular Formula

C27H46O

Molecular Mass

386.65

Cite this Page

Allocholesterol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=517-10-2 (retrieved 2024-07-05) (CAS RN: 517-10-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    132 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,21-25,28H,6-16H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1

InChIKey

InChIKey=UIMGHSAOLFTOBF-DPAQBDIFSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(CC3)=C[C@@H](O)CC4)(CC1)[H])[H])(CC[C@@]2([C@@H](CCCC(C)C)C)[H])[H]

Canonical SMILES

OC1C=C2CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1

Other Names for this Substance

  • Cholest-4-en-3-ol, (3β)-
  • Cholest-4-en-3β-ol
  • (3β)-Cholest-4-en-3-ol
  • Allocholesterol
  • Coprostenol

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Deleted or Replaced CAS Registry Numbers

601-56-9, 14214-68-7, 32213-61-9, 930599-23-8