Chem
J-GLOBAL ID：201407031586248386
Nikkaji number：J3.297.515A
(3aS,7R,7aS)-3a,6,7,7a-Tetrahydro-7-acetoxy-2,2-dimethyl-1,3-benzodioxole-5-carboxylic acid ethyl ester
(3aS,7R,7aS)-3a,6,7,7a-テトラヒドロ-7-アセトキシ-2,2-ジメチル-1,3-ベンゾジオキソール-5-カルボン酸エチル
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
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
Molecular formula： C14H20O6
Molecular formula furigana： C14-H20-O6
Molecular weight： 284.308
InChI：
InChI=1S/C14H20O6/c1-5-17-13(16)9-6-10(18-8(2)15)12-11(7-9)19-14(3,4)20-12/h7,10-12H,5-6H2,1-4H3/t10-,11+,12+/m1/s1
InChI key：
FKLIEAWBGJILHS-WOPDTQHZSA-N
SMILES：
CCOC(=O)C1=C[C@@H]2OC(C)(C)O[C@H]2[C@@H](C1)OC(=O)C
Systematic name (3)：
- (3aS,7R,7aS)-3a,6,7,7a-テトラヒドロ-7-アセトキシ-2,2-ジメチル-1,3-ベンゾジオキソール-5-カルボン酸エチル
- エチル (3aS,7R,7aS)-7-(アセチルオキシ)-2,2-ジメチル-3a,6,7,7a-テトラヒドロ-2H-1,3-ベンゾジオキソール-5-カルボキシラート
- ethyl (3aS,7R,7aS)-7-(acetyloxy)-2,2-dimethyl-3a,6,7,7a-tetrahydro-2H-1,3-benzodioxole-5-carboxylate
- (3aS,7R,7aS)-3a,6,7,7a-Tetrahydro-7-acetoxy-2,2-dimethyl-1,3-benzodioxole-5-carboxylic acid ethyl ester
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