Chem
J-GLOBAL ID：200907054303348061   Nikkaji number：J2.596.457H

1α-Methyl-2β-(p-tolylsulfonyl)-5-(4-methoxyphenyl)-6,8-bis(benzyloxy)-1,2,3,4-tetrahydroisoquinoline-3α-methanol

1α-メチル-2β-(p-トリルスルホニル)-5-(4-メトキシフェニル)-6,8-ビス(ベンジルオキシ)-1,2,3,4-テトラヒドロイソキノリン-3α-メタノール
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： C39H39NO6S
Molecular formula furigana： C39-H39-N-O6-S
Molecular weight： 649.800
InChI： InChI=1S/C39H39NO6S/c1-27-14-20-34(21-15-27)47(42,43)40-28(2)38-35(22-32(40)24-41)39(31-16-18-33(44-3)19-17-31)37(46-26-30-12-8-5-9-13-30)23-36(38)45-25-29-10-6-4-7-11-29/h4-21,23,28,32,41H,22,24-26H2,1-3H3/t28-,32-/m0/s1
InChI key： AICWBOHEKPVSFM-IUDBTDONSA-N
SMILES： COc1ccc(cc1)c1c(OCc2ccccc2)cc(OCc2ccccc2)c2[C@H](C)N([C@H](CO)Cc12)S(=O)(=O)c1ccc(C)cc1
Systematic name  (3)：
  • 1α-メチル-2β-(p-トリルスルホニル)-5-(4-メトキシフェニル)-6,8-ビス(ベンジルオキシ)-1,2,3,4-テトラヒドロイソキノリン-3α-メタノール
  • [(1S,3S)-6,8-ビス(ベンジルオキシ)-5-(4-メトキシフェニル)-1-メチル-2-(4-メチルベンゼンスルホニル)-1,2,3,4-テトラヒドロイソキノリン-3-イル]メタノール
  • [(1S,3S)-6,8-bis(benzyloxy)-5-(4-methoxyphenyl)-1-methyl-2-(4-methylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinolin-3-yl]methanol
Other name (1)：
  • 1α-Methyl-2β-(p-tolylsulfonyl)-5-(4-methoxyphenyl)-6,8-bis(benzyloxy)-1,2,3,4-tetrahydroisoquinoline-3α-methanol
Thsaurus map：
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