Chem
J-GLOBAL ID：200907004535963997   Nikkaji number：J1.912.941A

(1R)-2α-[6-(Tosyloxy)-7-methyl-1,3-benzodioxole-5-ylmethyl]-8,11-dimethyl-9-methoxy-1,2,3,4,5,6-hexahydro-1β,5β-epimino-3-benzazocine-10-ol

(1R)-2α-[6-(トシルオキシ)-7-メチル-1,3-ベンゾジオキソール-5-イルメチル]-8,11-ジメチル-9-メトキシ-1,2,3,4,5,6-ヘキサヒドロ-1β,5β-エピミノ-3-ベンゾアゾシン-10-オール
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： C30H34N2O7S
Molecular formula furigana： C30-H34-N2-O7-S
Molecular weight： 566.670
InChI： InChI=1S/C30H34N2O7S/c1-16-6-8-22(9-7-16)40(34,35)39-29-18(3)30-24(37-15-38-30)13-20(29)12-23-26-25-19(11-21(14-31-23)32(26)4)10-17(2)28(36-5)27(25)33/h6-10,13,21,23,26,31,33H,11-12,14-15H2,1-5H3/t21-,23-,26-/m0/s1
InChI key： KPXZWXXKZKJSEQ-KJOQGJGQSA-N
SMILES： COc1c(C)cc2C[C@H]3CN[C@@H](Cc4cc5OCOc5c(C)c4OS(=O)(=O)c4ccc(C)cc4)[C@H](N3C)c2c1O
Systematic name  (3)：
  • (1R)-2α-[6-(トシルオキシ)-7-メチル-1,3-ベンゾジオキソール-5-イルメチル]-8,11-ジメチル-9-メトキシ-1,2,3,4,5,6-ヘキサヒドロ-1β,5β-エピミノ-3-ベンゾアゾシン-10-オール
  • 6-{[(1R,9S,12S)-3-ヒドロキシ-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-2,4,6-トリエン-12-イル]メチル}-4-メチル-2H-1,3-ベンゾジオキソール-5-イル 4-メチルベンゼン-1-スルホナート
  • 6-{[(1R,9S,12S)-3-hydroxy-4-methoxy-5,13-dimethyl-11,13-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-12-yl]methyl}-4-methyl-2H-1,3-benzodioxol-5-yl 4-methylbenzene-1-sulfonate
Other name (1)：
  • (1R)-2α-[6-(Tosyloxy)-7-methyl-1,3-benzodioxole-5-ylmethyl]-8,11-dimethyl-9-methoxy-1,2,3,4,5,6-hexahydro-1β,5β-epimino-3-benzazocine-10-ol
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