Chem
J-GLOBAL ID：200907096010449623   Nikkaji number：J2.309.097J

(5S)-2-(tert-Butyldimethylsiloxy)-5α-[1-(2-hydroxybenzylaminomethyl)-1-(benzyloxymethyl)-2-(benzyloxy)ethyl]cyclohexanone ethylene acetal

(5S)-2-(tert-ブチルジメチルシロキシ)-5α-[1-(2-ヒドロキシベンジルアミノメチル)-1-(ベンジルオキシメチル)-2-(ベンジルオキシ)エチル]シクロヘキサノンエチレンアセタール
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： C39H55NO6Si
Molecular formula furigana： C39-H55-N-O6-SI
Molecular weight： 661.955
InChI： InChI=1S/C39H55NO6Si/c1-37(2,3)47(4,5)46-36-21-20-34(24-39(36)44-22-23-45-39)38(29-42-26-31-14-8-6-9-15-31,30-43-27-32-16-10-7-11-17-32)28-40-25-33-18-12-13-19-35(33)41/h6-19,34,36,40-41H,20-30H2,1-5H3/t34-,36?/m0/s1
InChI key： ZQUAVOIAVOINDC-KNPJQLEMSA-N
SMILES： CC(C)(C)[Si](C)(C)OC1CC[C@@H](CC21OCCO2)C(CNCc1ccccc1O)(COCc1ccccc1)COCc1ccccc1
Systematic name  (3)：
  • (5S)-2-(tert-ブチルジメチルシロキシ)-5α-[1-(2-ヒドロキシベンジルアミノメチル)-1-(ベンジルオキシメチル)-2-(ベンジルオキシ)エチル]シクロヘキサノンエチレンアセタール
  • 2-({[3-(ベンジルオキシ)-2-[(ベンジルオキシ)メチル]-2-[(7S)-10-[(tert-ブチルジメチルシリル)オキシ]-1,4-ジオキサスピロ[4.5]デカン-7-イル]プロピル]アミノ}メチル)フェノール
  • 2-({[3-(benzyloxy)-2-[(benzyloxy)methyl]-2-[(7S)-10-[(tert-butyldimethylsilyl)oxy]-1,4-dioxaspiro[4.5]decan-7-yl]propyl]amino}methyl)phenol
Other name (1)：
  • (5S)-2-(tert-Butyldimethylsiloxy)-5α-[1-(2-hydroxybenzylaminomethyl)-1-(benzyloxymethyl)-2-(benzyloxy)ethyl]cyclohexanone ethylene acetal
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