Chem
J-GLOBAL ID：200907020828440048   Nikkaji number：J693.912K

(3R,5aα,8aα,12aR)-3,6α,9-Trimethyl-9-bromo-10β-ethoxydecahydro-3β,12α-epoxypyrano[4,3-j]-1,2-benzodioxepin

(3R,5aα,8aα,12aR)-3,6α,9-トリメチル-9-ブロモ-10β-エトキシデカヒドロ-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： C17H27BrO5
Molecular formula furigana： C17-H27-BR-O5
Molecular weight： 391.302
InChI： InChI=1S/C17H27BrO5/c1-5-19-13-16(4,18)12-7-6-10(2)11-8-9-15(3)21-14(20-13)17(11,12)23-22-15/h10-14H,5-9H2,1-4H3/t10-,11+,12+,13+,14-,15-,16?,17-/m1/s1
InChI key： VFJJGYRJHWLLSI-CIQSXHHHSA-N
SMILES： CCO[C@H]1O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@@H](C1(C)Br)[C@@]24OO3
Systematic name  (4)：
  • (3R,5aα,8aα,12aR)-3,6α,9-トリメチル-9-ブロモ-10β-エトキシデカヒドロ-3β,12α-エポキシピラノ[4,3-j]-1,2-ベンゾジオキセピン
  • (3R,5aα,8aα,12aR)-デカヒドロ-9-ブロモ-10β-エトキシ-3,6α,9-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,8R,10S,12R,13R)-9-ブロモ-10-エトキシ-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,8R,10S,12R,13R)-9-bromo-10-ethoxy-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane
Other name (2)：
  • (3R,5aα,8aα,12aR)-Decahydro-9-bromo-10β-ethoxy-3,6α,9-trimethyl-3β,12α-epoxypyrano[4,3-j]-1,2-benzodioxepin
  • (3R,5aα,8aα,12aR)-3,6α,9-Trimethyl-9-bromo-10β-ethoxydecahydro-3β,12α-epoxypyrano[4,3-j]-1,2-benzodioxepin
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