Chem
J-GLOBAL ID：200907023845198896   Nikkaji number：J2.309.095C

(2S)-2β-Hydroxy-5α-[1-cyano-1-(benzyloxymethyl)-2-(benzyloxy)ethyl]cyclohexanone

(2S)-2β-ヒドロキシ-5α-[1-シアノ-1-(ベンジルオキシメチル)-2-(ベンジルオキシ)エチル]シクロヘキサノン
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： C24H27NO4
Molecular formula furigana： C24-H27-N-O4
Molecular weight： 393.483
InChI： InChI=1S/C24H27NO4/c25-16-24(21-11-12-22(26)23(27)13-21,17-28-14-19-7-3-1-4-8-19)18-29-15-20-9-5-2-6-10-20/h1-10,21-22,26H,11-15,17-18H2/t21-,22-/m0/s1
InChI key： ZFQMFTYODNICAL-VXKWHMMOSA-N
SMILES： O[C@H]1CC[C@@H](CC1=O)C(COCc1ccccc1)(COCc1ccccc1)C#N
Systematic name  (3)：
  • (2S)-2β-ヒドロキシ-5α-[1-シアノ-1-(ベンジルオキシメチル)-2-(ベンジルオキシ)エチル]シクロヘキサノン
  • 3-(ベンジルオキシ)-2-[(ベンジルオキシ)メチル]-2-[(1S,4S)-4-ヒドロキシ-3-オキソシクロヘキシル]プロパンニトリル
  • 3-(benzyloxy)-2-[(benzyloxy)methyl]-2-[(1S,4S)-4-hydroxy-3-oxocyclohexyl]propanenitrile
Other name (1)：
  • (2S)-2β-Hydroxy-5α-[1-cyano-1-(benzyloxymethyl)-2-(benzyloxy)ethyl]cyclohexanone
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