Chem
J-GLOBAL ID：200907050279237142   Nikkaji number：J15.077K

Cholest-5-en-3-one

コレスタ-5-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： C27H44O
Molecular formula furigana： C27-H44-O
Molecular weight： 384.648
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
InChI key： GGCLNOIGPMGLDB-GYKMGIIDSA-N
SMILES： CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (4)：
  • コレスタン-5-エン-3-オン
  • コレスタ-5-エン-3-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,6H,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,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Other name (15)：
  • コレステロン
  • 3-オキソコレスタ-5-エン
  • Cholesterone
  • 3-Oxocholest-5-ene
  • Cholest-5-en-3-one
Show all
CAS registry number： 601-54-7
Regulation number (2)：
  • FZ7875000
  • EINECS2100046
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