Chem
J-GLOBAL ID：200907052810237880   Nikkaji number：J806.473C

(2E)-2-[(6-Benzyloxy-7-methyl-1,3-benzodioxol-5-yl)methylene]-3-benzyl-9-methoxy-8,11-dimethyl-2,3,5,6-tetrahydro-1β,5β-epimino-3-benzazocin-4(1H)-one

(2E)-2-[(6-ベンジルオキシ-7-メチル-1,3-ベンゾジオキソール-5-イル)メチレン]-3-ベンジル-9-メトキシ-8,11-ジメチル-2,3,5,6-テトラヒドロ-1β,5β-エピミノ-3-ベンゾアゾシン-4(1H)-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： C37H36N2O5
Molecular formula furigana： C37-H36-N2-O5
Molecular weight： 588.704
InChI： InChI=1S/C37H36N2O5/c1-23-15-27-16-31-37(40)39(20-25-11-7-5-8-12-25)30(34(38(31)3)29(27)19-32(23)41-4)17-28-18-33-36(44-22-43-33)24(2)35(28)42-21-26-13-9-6-10-14-26/h5-15,17-19,31,34H,16,20-22H2,1-4H3/b30-17+/t31-,34+/m0/s1
InChI key： YTKHIYFIHRBJBW-DKUTXLPYSA-N
SMILES： COc1cc2[C@H]3N(C)[C@@H](Cc2cc1C)C(=O)N(Cc1ccccc1)/C/3=C/c1cc2OCOc2c(C)c1OCc1ccccc1
Systematic name  (3)：
  • (2E)-2-[(6-ベンジルオキシ-7-メチル-1,3-ベンゾジオキソール-5-イル)メチレン]-3-ベンジル-9-メトキシ-8,11-ジメチル-2,3,5,6-テトラヒドロ-1β,5β-エピミノ-3-ベンゾアゾシン-4(1H)-オン
  • (1R,9S,12E)-11-ベンジル-12-{[6-(ベンジルオキシ)-7-メチル-2H-1,3-ベンゾジオキソール-5-イル]メチリデン}-4-メトキシ-5,13-ジメチル-11,13-ジアザトリシクロ[7.3.1.02,7]トリデカ-2(7),3,5-トリエン-10-オン
  • (1R,9S,12E)-11-benzyl-12-{[6-(benzyloxy)-7-methyl-2H-1,3-benzodioxol-5-yl]methylidene}-4-methoxy-5,13-dimethyl-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-10-one
Other name (1)：
  • (2E)-2-[(6-Benzyloxy-7-methyl-1,3-benzodioxol-5-yl)methylene]-3-benzyl-9-methoxy-8,11-dimethyl-2,3,5,6-tetrahydro-1β,5β-epimino-3-benzazocin-4(1H)-one
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