Chem
J-GLOBAL ID：200907002665546350   Nikkaji number：J1.516.593F

(3R,12aR)-10α-(2,4-Dimethoxyphenyl)-3,4,5,5aα,6,7,8,8aα,9,10-decahydro-3,6α,9α-trimethyl-3β,12α-epoxypyrano[4,3-j]-1,2-benzodioxepin

(3R,12aR)-10α-(2,4-ジメトキシフェニル)-3,4,5,5aα,6,7,8,8aα,9,10-デカヒドロ-3,6α,9α-トリメチル-3β,12α-エポキシピラノ[4,3-j]-1,2-ベンゾジオキセピン
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： C23H32O6
Molecular formula furigana： C23-H32-O6
Molecular weight： 404.503
InChI： InChI=1S/C23H32O6/c1-13-6-9-18-14(2)20(16-8-7-15(24-4)12-19(16)25-5)26-21-23(18)17(13)10-11-22(3,27-21)28-29-23/h7-8,12-14,17-18,20-21H,6,9-11H2,1-5H3/t13-,14+,17+,18+,20-,21-,22-,23-/m1/s1
InChI key： HMCZKKGJAIEIRI-SQMASUAPSA-N
SMILES： COc1ccc([C@@H]2O[C@@H]3O[C@@]4(C)CC[C@H]5[C@H](C)CC[C@@H]([C@@H]2C)[C@@]35OO4)c(OC)c1
Systematic name  (3)：
  • (3R,12aR)-10α-(2,4-ジメトキシフェニル)-3,4,5,5aα,6,7,8,8aα,9,10-デカヒドロ-3,6α,9α-トリメチル-3β,12α-エポキシピラノ[4,3-j]-1,2-ベンゾジオキセピン
  • (1R,4S,5R,8S,9S,10R,12R,13R)-10-(2,4-ジメトキシフェニル)-1,5,9-トリメチル-11,14,15,16-テトラオキサテトラシクロ[10.3.1.04,13.08,13]ヘキサデカン
  • (1R,4S,5R,8S,9S,10R,12R,13R)-10-(2,4-dimethoxyphenyl)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane
Other name (1)：
  • (3R,12aR)-10α-(2,4-Dimethoxyphenyl)-3,4,5,5aα,6,7,8,8aα,9,10-decahydro-3,6α,9α-trimethyl-3β,12α-epoxypyrano[4,3-j]-1,2-benzodioxepin
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