Chem
J-GLOBAL ID：200907079075499715   Nikkaji number：J46.687E

Cholesta-3,5-dien-7-one

コレスタ-3,5-ジエン-7-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)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
InChI key： TTXJJFWWNDJDNR-CZRUWHASSA-N
SMILES： CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CCC=CC1=CC3=O
Systematic name  (4)：
  • 3,5-コレスタジエン-7-オン
  • コレスタ-3,5-ジエン-7-オン
  • (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,4H,8H,9H,9aH,9bH,10H,11H,11aH-シクロペンタ[a]フェナントレン-4-オン
  • (1R,3aS,3bS,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-1H,2H,3H,3aH,3bH,4H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-4-one
Other name (4)：
  • Cholesta-3,5-dien-7-one
  • 7-ケトコレスタ-3,5-ジエン
  • 7-Ketocholesta-3,5-diene
  • 3,5-Cholestadien-7-one
CAS registry number： 567-72-6
Regulation number (1)：
  • EINECS2093055
KEGG COMPOUND： C15357
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