Coprostanol

CAS Registry Number®

360-68-9

CAS Name

Coprostanol

Molecular Formula

C27H48O

Molecular Mass

388.67

Cite this Page

Coprostanol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=360-68-9 (retrieved 2024-11-25) (CAS RN: 360-68-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    102 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C27H48O/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/h18-25,28H,6-17H2,1-5H3/t19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1

InChIKey

InChIKey=QYIXCDOBOSTCEI-NWKZBHTNSA-N

SMILES

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

Canonical SMILES

OC1CCC2(C)C(CCC3C4CCC(C(C)CCCC(C)C)C4(C)CCC32)C1

Other Names for this Substance

  • Cholestan-3-ol, (3β,5β)-
  • 5β-Cholestan-3β-ol
  • (3β,5β)-Cholestan-3-ol
  • Coprostanol
  • Coprosterol

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