Chem
J-GLOBAL ID：200907084316463060   Nikkaji number：J150.087B

6-Ketocholestanol

6-ケトコレスタノール
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： C27H46O2
Molecular formula furigana： C27-H46-O2
Molecular weight： 402.663
InChI： InChI=1S/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-20-16-25(29)24-15-19(28)11-13-27(24,5)23(20)12-14-26(21,22)4/h17-24,28H,6-16H2,1-5H3/t18-,19+,20+,21-,22+,23+,24-,26-,27-/m1/s1
InChI key： JQMQKOQOLPGBBE-ZNCJEFCDSA-N
SMILES： CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (5)：
  • 6-オキソコレスタノール
  • (-)-3β-ヒドロキシ-5α-コレスタン-6-オン
  • 3β-ヒドロキシ-5α-コレスタン-6-オン
  • (1R,3aS,3bS,5aS,7S,9aR,9bS,11aR)-7-ヒドロキシ-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-5-オン
  • (1R,3aS,3bS,5aS,7S,9aR,9bS,11aR)-7-hydroxy-9a,11a-dimethyl-1-[(2R)-6-methylheptan-2-yl]-hexadecahydro-1H-cyclopenta[a]phenanthren-5-one
Other name (5)：
  • (-)-3β-Hydroxy-5α-cholestan-6-one
  • 3β-Hydroxy-5α-cholestan-6-one
  • 6-ケトコレスタノール
  • 6-Ketocholestanol
  • 6-Oxocholestanol
CAS registry number： 1175-06-0
Regulation number (1)：
  • EINECS2146405
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