Chem
J-GLOBAL ID：200907099512607183
Nikkaji number：J1.256.726J
2-[(3aS,7aS)-Hexahydro-2-methyl-1,3-benzodioxole-2-yl]propanoic acid ethyl ester
2-[(3aS,7aS)-ヘキサヒドロ-2-メチル-1,3-ベンゾジオキソール-2-イル]プロパン酸エチル
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： C13H22O4
Molecular formula furigana： C13-H22-O4
Molecular weight： 242.315
InChI：
InChI=1S/C13H22O4/c1-4-15-12(14)9(2)13(3)16-10-7-5-6-8-11(10)17-13/h9-11H,4-8H2,1-3H3/t9?,10-,11-/m0/s1
InChI key：
ZWWILLBYQXHOEE-DVRYWGNFSA-N
SMILES：
CCOC(=O)C(C)C1(C)O[C@H]2CCCC[C@@H]2O1
Systematic name (4)：
- 2-[(3aS,7aS)-ヘキサヒドロ-2-メチル-1,3-ベンゾジオキソール-2-イル]プロパン酸エチル
- (3aS,7aS)-α,2-ジメチル-3a,4,5,6,7,7a-ヘキサヒドロ-1,3-ベンゾジオキソール-2-酢酸エチル
- エチル 2-[(3aS,7aS)-2-メチル-ヘキサヒドロ-2H-1,3-ベンゾジオキソール-2-イル]プロパノアート
- ethyl 2-[(3aS,7aS)-2-methyl-hexahydro-2H-1,3-benzodioxol-2-yl]propanoate
- 2-[(3aS,7aS)-Hexahydro-2-methyl-1,3-benzodioxole-2-yl]propanoic acid ethyl ester
- (3aS,7aS)-α,2-Dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-2-acetic acid ethyl ester
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