Chem
J-GLOBAL ID:200907019263788772   Nikkaji number:J2.617.958K

(2S)-2-Methyl-2α-hydroxy-3β-(phenylthio)-5α-(1-methyl-1-hydroxyethyl)cyclohexanone O-benzyl oxime

(2S)-2-メチル-2α-ヒドロキシ-3β-(フェニルチオ)-5α-(1-メチル-1-ヒドロキシエチル)シクロヘキサノンO-ベンジルオキシム
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: C23H29NO3S
Molecular formula furigana: C23-H29-N-O3-S
Molecular weight: 399.550
InChI: InChI=1S/C23H29NO3S/c1-22(2,25)18-14-20(24-27-16-17-10-6-4-7-11-17)23(3,26)21(15-18)28-19-12-8-5-9-13-19/h4-13,18,21,25-26H,14-16H2,1-3H3/t18-,21+,23+/m1/s1
InChI key: KJUAVSXJFISKHY-JZWVFAODSA-N
SMILES: CC(C)(O)[C@H]1C[C@H](Sc2ccccc2)[C@@](C)(O)C(=NOCc2ccccc2)C1
Systematic name  (3):
  • (2S)-2-メチル-2α-ヒドロキシ-3β-(フェニルチオ)-5α-(1-メチル-1-ヒドロキシエチル)シクロヘキサノンO-ベンジルオキシム
  • (1S,4R,6S)-2-[(ベンジルオキシ)イミノ]-4-(2-ヒドロキシプロパン-2-イル)-1-メチル-6-(フェニルスルファニル)シクロヘキサン-1-オール
  • (1S,4R,6S)-2-[(benzyloxy)imino]-4-(2-hydroxypropan-2-yl)-1-methyl-6-(phenylsulfanyl)cyclohexan-1-ol
Other name (1):
  • (2S)-2-Methyl-2α-hydroxy-3β-(phenylthio)-5α-(1-methyl-1-hydroxyethyl)cyclohexanone O-benzyl oxime
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