Cholesta-3,5-dien-7-one

CAS Registry Number®

567-72-6

CAS Name

Cholesta-3,5-dien-7-one

Molecular Formula

C27H42O

Molecular Mass

382.62

Cite this Page

Cholesta-3,5-dien-7-one.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=567-72-6 (retrieved 2024-12-21) (CAS RN: 567-72-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    114 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H42O/c1-18(2)9-8-10-19(3)21-12-13-22-25-23(14-16-27(21,22)5)26(4)15-7-6-11-20(26)17-24(25)28/h6,11,17-19,21-23,25H,7-10,12-16H2,1-5H3/t19-,21-,22+,23+,25+,26+,27-/m1/s1

InChIKey

InChIKey=TTXJJFWWNDJDNR-CZRUWHASSA-N

SMILES

O=C1[C@]2([C@]3([C@@](C)([C@@]([C@@H](CCCC(C)C)C)(CC3)[H])CC[C@@]2([C@]4(C)C(=C1)C=CCC4)[H])[H])[H]

Canonical SMILES

O=C1C=C2C=CCCC2(C)C3CCC4(C)C(CCC4C13)C(C)CCCC(C)C

Other Names for this Substance

  • Cholesta-3,5-dien-7-one
  • Δ3,5-Cholestadien-7-one
  • NSC 134914
  • NSC 18180
  • Cholesta-3,5-diene-7-one

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