Chem
J-GLOBAL ID:200907024617885650   Nikkaji number:J487.101D

5β-Cholestan-4-one

5β-コレスタン-4-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: C27H46O
Molecular formula furigana: C27-H46-O
Molecular weight: 386.664
InChI: InChI=1S/C27H46O/c1-18(2)8-6-9-19(3)21-13-14-22-20-11-12-24-25(28)10-7-16-26(24,4)23(20)15-17-27(21,22)5/h18-24H,6-17H2,1-5H3/t19-,20+,21-,22+,23+,24-,26-,27-/m1/s1
InChI key: DLLMWILXSWQKHZ-GRFPRMRASA-N
SMILES: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C(=O)CCC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3):
  • 5β-コレスタン-4-オン
  • (1R,3aS,3bS,5aS,9aR,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-6-オン
  • (1R,3aS,3bS,5aS,9aR,9bS,11aR)-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthren-6-one
Other name (1):
  • 5β-Cholestan-4-one
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