Cholest-5-en-3-one

CAS Registry Number®

601-54-7
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CAS Name

Cholest-5-en-3-one

Molecular Formula

C27H44O

Molecular Mass

384.64

Cite this Page

Cholest-5-en-3-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=601-54-7 (retrieved 2024-04-27) (CAS RN: 601-54-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    127 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H44O/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/h9,18-19,22-25H,6-8,10-17H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1

InChIKey

InChIKey=GGCLNOIGPMGLDB-GYKMGIIDSA-N

SMILES

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

Canonical SMILES

O=C1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1

Other Names for this Substance

  • Cholest-5-en-3-one
  • Δ5-Cholesten-3-one
  • 3-Oxocholest-5-ene
  • 3-Ketocholesterol
  • NSC 118979

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Deleted or Replaced CAS Registry Numbers

676322-58-0, 693245-21-5

CAS INSIGHTSTM
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