Chem
J-GLOBAL ID：200907031118987171   Nikkaji number：J693.915E

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

(3R,5aα,8aα,12aR)-デカヒドロ-9-ブロモ-10β-(エチルチオ)-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
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： C17H27BrO4S
Molecular formula furigana： C17-H27-BR-O4-S
Molecular weight： 407.360
InChI： InChI=1S/C17H27BrO4S/c1-5-23-14-16(4,18)12-7-6-10(2)11-8-9-15(3)20-13(19-14)17(11,12)22-21-15/h10-14H,5-9H2,1-4H3/t10-,11+,12+,13-,14-,15-,16?,17-/m1/s1
InChI key： NUUJMRATFZUZHG-FBZUBTRNSA-N
SMILES： CCS[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  (3)：
  • (3R,5aα,8aα,12aR)-デカヒドロ-9-ブロモ-10β-(エチルチオ)-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,10R,12S,13R)-9-ブロモ-10-(エチルスルファニル)-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,8R,10R,12S,13R)-9-bromo-10-(ethylsulfanyl)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane
Other name (1)：
  • (3R,5aα,8aα,12aR)-Decahydro-9-bromo-10β-(ethylthio)-3,6α,9-trimethyl-3β,12α-epoxypyrano[4,3-j]-1,2-benzodioxepin
Thsaurus map：
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