Chem
J-GLOBAL ID：200907024363183235   Nikkaji number：J39.845D

Coprostanone

コプロスタノン
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： C27H46O
Molecular formula furigana： C27-H46-O
Molecular weight： 386.664
InChI： InChI=1S/C27H46O/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/h18-20,22-25H,6-17H2,1-5H3/t19-,20-,22+,23-,24+,25+,26+,27-/m1/s1
InChI key： PESKGJQREUXSRR-JDIFZLMISA-N
SMILES： CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (4)：
  • 5β-コレスタ-3-オン
  • 5β-コレスタン-3-オン
  • (1R,3aS,3bR,5aR,9aS,9bS,11aR)-9a,11a-ジメチル-1-[(2R)-6-メチルヘプタン-2-イル]-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-7-オン
  • (1R,3aS,3bR,5aR,9aS,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthren-7-one
Other name (4)：
  • コプロスタノン
  • Coprostanone
  • 5β-Cholestan-3-one
  • 5β-Cholest-3-one
CAS registry number： 601-53-6
Regulation number (1)：
  • EINECS2100030
KEGG COMPOUND： C03091
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