Cholesta-4,6-dien-3-one

CAS Registry Number®

566-93-8
No image available.

CAS Name

Cholesta-4,6-dien-3-one

Molecular Formula

C27H42O

Molecular Mass

382.62

Cite this Page

Cholesta-4,6-dien-3-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=566-93-8 (retrieved 2024-07-05) (CAS RN: 566-93-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    80-81 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H42O/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/h9-10,17-19,22-25H,6-8,11-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1

InChIKey

InChIKey=XIWMRKFKSRYSIJ-GYKMGIIDSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)C(C=C3)=CC(=O)CC4)(CC1)[H])[H])(CC[C@@]2([C@@H](CCCC(C)C)C)[H])[H]

Canonical SMILES

O=C1C=C2C=CC3C(CCC4(C)C3CCC4C(C)CCCC(C)C)C2(C)CC1

Other Names for this Substance

  • Cholesta-4,6-dien-3-one
  • 4,6-Cholestadien-3-one
  • Cholesta-4,6-diene-3-one
  • NSC 119073