Chem
J-GLOBAL ID：200907034951125646   Nikkaji number：J1.912.940C

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

(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-10-(メトキシメトキシ)-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
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： C32H38N2O8S
Molecular formula furigana： C32-H38-N2-O8-S
Molecular weight： 610.720
InChI： InChI=1S/C32H38N2O8S/c1-18-7-9-24(10-8-18)43(35,36)42-30-20(3)31-26(39-17-41-31)14-22(30)13-25-28-27-21(12-23(15-33-25)34(28)4)11-19(2)29(38-6)32(27)40-16-37-5/h7-11,14,23,25,28,33H,12-13,15-17H2,1-6H3/t23-,25-,28-/m0/s1
InChI key： INTAFKZCFOTJQZ-AGJHTDJMSA-N
SMILES： COCOc1c(OC)c(C)cc2C[C@H]3CN[C@@H](Cc4cc5OCOc5c(C)c4OS(=O)(=O)c4ccc(C)cc4)[C@H](N3C)c12
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-10-(メトキシメトキシ)-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
  • 6-{[(1R,9S,12S)-4-メトキシ-3-(メトキシメトキシ)-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-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)-4-methoxy-3-(methoxymethoxy)-5,13-dimethyl-11,13-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-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-10-(methoxymethoxy)-1,2,3,4,5,6-hexahydro-1β,5β-epimino-3-benzazocine
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