Chem
J-GLOBAL ID：200907063674129639   Nikkaji number：J188.432H

Cholesta-4,6-dien-3-one

コレスタ-4,6-ジエン-3-オン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C27H42O
Molecular formula furigana： C27-H42-O
Molecular weight： 382.632
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
InChI key： XIWMRKFKSRYSIJ-GYKMGIIDSA-N
SMILES： CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (5)：
  • コレスタ-4,6-ジエン-3-オン
  • 4,6-コレスタジエン-3-オン
  • 3-オキソコレスタ-4,6-ジエン
  • (1R,3aS,3bS,9aR,9bS,11aR)-9a,11a-ジメチル-1-[(2R)-6-メチルヘプタン-2-イル]-1H,2H,3H,3aH,3bH,7H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-7-オン
  • (1R,3aS,3bS,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Other name (3)：
  • Cholesta-4,6-dien-3-one
  • 4,6-Cholestadien-3-one
  • 3-Oxocholesta-4,6-diene
CAS registry number： 566-93-8
Regulation number (1)：
  • EINECS2092994
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