Coprostanone

CAS Registry Number®

601-53-6

CAS Name

Coprostanone

Molecular Formula

C27H46O

Molecular Mass

386.65

Cite this Page

Coprostanone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=601-53-6 (retrieved 2024-11-22) (CAS RN: 601-53-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    210-215 °C @ Press: 0.3 Torr

  • Melting Point (2)

    62-63 °C

Source(s)

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/h18-20,22-25H,6-17H2,1-5H3/t19-,20-,22+,23-,24+,25+,26+,27-/m1/s1

InChIKey

InChIKey=PESKGJQREUXSRR-JDIFZLMISA-N

SMILES

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

Canonical SMILES

O=C1CCC2(C)C(C1)CCC3C4CCC(C(C)CCCC(C)C)C4(C)CCC32

Other Names for this Substance

  • Cholestan-3-one, (5β)-
  • 5β-Cholestan-3-one
  • (5β)-Cholestan-3-one
  • Coprostanone
  • 5β-Coprostan-3-one

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Deleted or Replaced CAS Registry Numbers

127794-11-0, 2937485-22-6