Chem
J-GLOBAL ID：200907093029531232   Nikkaji number：J806.470I

(2E)-2-[(6-Methoxy-7-methyl-1,3-benzodioxol-5-yl)methylene]-3-benzyl-7,9,10-trimethoxy-8,11-dimethyl-2,3,5,6-tetrahydro-1β,5β-epimino-3-benzazocin-4(1H)-one

(2E)-2-[(6-メトキシ-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-7,9,10-トリメトキシ-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： C33H36N2O7
Molecular formula furigana： C33-H36-N2-O7
Molecular weight： 572.658
InChI： InChI=1S/C33H36N2O7/c1-18-28(37-4)21(14-25-30(18)42-17-41-25)13-23-27-26-22(29(38-5)19(2)31(39-6)32(26)40-7)15-24(34(27)3)33(36)35(23)16-20-11-9-8-10-12-20/h8-14,24,27H,15-17H2,1-7H3/b23-13+/t24-,27-/m0/s1
InChI key： RHLBVTIXPJLBAP-YUAGKAGBSA-N
SMILES： COc1c(C)c2OCOc2cc1/C=C/1\[C@@H]2N(C)[C@@H](Cc3c(OC)c(C)c(OC)c(OC)c23)C(=O)N1Cc1ccccc1
Systematic name  (3)：
  • (2E)-2-[(6-メトキシ-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-7,9,10-トリメトキシ-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-3,4,6-トリメトキシ-12-[(6-メトキシ-7-メチル-2H-1,3-ベンゾジオキソール-5-イル)メチリデン]-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-2,4,6-トリエン-10-オン
  • (1R,9S,12E)-11-benzyl-3,4,6-trimethoxy-12-[(6-methoxy-7-methyl-2H-1,3-benzodioxol-5-yl)methylidene]-5,13-dimethyl-11,13-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-10-one
Other name (1)：
  • (2E)-2-[(6-Methoxy-7-methyl-1,3-benzodioxol-5-yl)methylene]-3-benzyl-7,9,10-trimethoxy-8,11-dimethyl-2,3,5,6-tetrahydro-1β,5β-epimino-3-benzazocin-4(1H)-one
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