Chem
J-GLOBAL ID：200907091645577278   Nikkaji number：J696.155J

Propenoic acid 2-[[[(3R,5aα,8aα,12aR)-decahydro-3,6α,9β-trimethyl-3β,12α-epoxypyrano[4,3-j]-1,2-benzodioxepin]-10β-yl]oxy]ethyl ester

プロペン酸2-[[[(3R,5aα,8aα,12aR)-デカヒドロ-3,6α,9β-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]-10β-イル]オキシ]エチル
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： C20H30O7
Molecular formula furigana： C20-H30-O7
Molecular weight： 382.453
InChI： InChI=1S/C20H30O7/c1-5-16(21)22-10-11-23-17-13(3)15-7-6-12(2)14-8-9-19(4)25-18(24-17)20(14,15)27-26-19/h5,12-15,17-18H,1,6-11H2,2-4H3/t12-,13-,14+,15+,17+,18-,19-,20-/m1/s1
InChI key： BCUUOGKGFBMEDW-IQSDECSOSA-N
SMILES： C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCOC(=O)C=C)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4
Systematic name  (3)：
  • プロペン酸2-[[[(3R,5aα,8aα,12aR)-デカヒドロ-3,6α,9β-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]-10β-イル]オキシ]エチル
  • 2-{[(1R,4S,5R,8S,9R,10S,12R,13R)-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-10-イル]オキシ}エチル プロパ-2-エノアート
  • 2-{[(1R,4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy}ethyl prop-2-enoate
Other name (1)：
  • Propenoic acid 2-[[[(3R,5aα,8aα,12aR)-decahydro-3,6α,9β-trimethyl-3β,12α-epoxypyrano[4,3-j]-1,2-benzodioxepin]-10β-yl]oxy]ethyl ester
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