Chem
J-GLOBAL ID：200907004195281950   Nikkaji number：J1.831.614E

(22S)-22-Hydroxycholesta-4-ene-3-one

(22S)-22-ヒドロキシコレスタ-4-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： C27H44O2
Molecular formula furigana： C27-H44-O2
Molecular weight： 400.647
InChI： InChI=1S/C27H44O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h16-18,21-25,29H,6-15H2,1-5H3/t18-,21-,22+,23-,24-,25-,26-,27+/m0/s1
InChI key： YXEUIHYGTAHPFF-YZTKRRGXSA-N
SMILES： CC(C)CC[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
Systematic name  (3)：
  • (22S)-22-ヒドロキシコレスタ-4-エン-3-オン
  • (1R,3aS,3bS,9aR,9bS,11aS)-1-[(2S,3S)-3-ヒドロキシ-6-メチルヘプタン-2-イル]-9a,11a-ジメチル-1H,2H,3H,3aH,3bH,4H,5H,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,11aS)-1-[(2S,3S)-3-hydroxy-6-methylheptan-2-yl]-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-one
Other name (1)：
  • (22S)-22-Hydroxycholesta-4-ene-3-one
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