Chem
J-GLOBAL ID：200907044724599130   Nikkaji number：J693.914G

(3R,5aα,8aα,12aR)-3,6α,9-Trimethyl-9-bromo-10β-(2-propynyloxy)decahydro-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-(2-プロピニルオキシ)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： C18H25BrO5
Molecular formula furigana： C18-H25-BR-O5
Molecular weight： 401.297
InChI： InChI=1S/C18H25BrO5/c1-5-10-20-14-17(4,19)13-7-6-11(2)12-8-9-16(3)22-15(21-14)18(12,13)24-23-16/h1,11-15H,6-10H2,2-4H3/t11-,12+,13+,14+,15-,16-,17?,18-/m1/s1
InChI key： ICKTWSZWXYNPEN-TYYGDNINSA-N
SMILES： C[C@@H]1CC[C@H]2C(C)(Br)[C@@H](OCC#C)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4
Systematic name  (4)：
  • (3R,5aα,8aα,12aR)-3,6α,9-トリメチル-9-ブロモ-10β-(2-プロピニルオキシ)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-(2-プロピニルオキシ)-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-1,5,9-トリメチル-10-(プロパ-2-イン-1-イルオキシ)-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-1,5,9-trimethyl-10-(prop-2-yn-1-yloxy)-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecane
Other name (2)：
  • (3R,5aα,8aα,12aR)-Decahydro-9-bromo-10β-(2-propynyloxy)-3,6α,9-trimethyl-3β,12α-epoxypyrano[4,3-j]-1,2-benzodioxepin
  • (3R,5aα,8aα,12aR)-3,6α,9-Trimethyl-9-bromo-10β-(2-propynyloxy)decahydro-3β,12α-epoxypyrano[4,3-j]-1,2-benzodioxepin
Thsaurus map：
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