Chem
J-GLOBAL ID：200907023272068283
Nikkaji number：J1.679.651D
(3aR)-2,2-Dimethyl-6-(3,4-dimethoxyphenyl)-3aα,6aα-dihydro-4H-cyclopenta-1,3-dioxole-4-one
(3aR)-2,2-ジメチル-6-(3,4-ジメトキシフェニル)-3aα,6aα-ジヒドロ-4H-シクロペンタ-1,3-ジオキソール-4-オン
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： C16H18O5
Molecular formula furigana： C16-H18-O5
Molecular weight： 290.315
InChI：
InChI=1S/C16H18O5/c1-16(2)20-14-10(8-11(17)15(14)21-16)9-5-6-12(18-3)13(7-9)19-4/h5-8,14-15H,1-4H3/t14-,15+/m1/s1
InChI key：
PODVDHQAFASRTL-CABCVRRESA-N
SMILES：
COc1ccc(cc1OC)C1=CC(=O)[C@@H]2OC(C)(C)O[C@H]12
Systematic name (3)：
- (3aR)-2,2-ジメチル-6-(3,4-ジメトキシフェニル)-3aα,6aα-ジヒドロ-4H-シクロペンタ-1,3-ジオキソール-4-オン
- (3aR,6aR)-6-(3,4-ジメトキシフェニル)-2,2-ジメチル-2H,3aH,4H,6aH-シクロペンタ[d][1,3]ジオキソール-4-オン
- (3aR,6aR)-6-(3,4-dimethoxyphenyl)-2,2-dimethyl-2H,3aH,4H,6aH-cyclopenta[d][1,3]dioxol-4-one
- (3aR)-2,2-Dimethyl-6-(3,4-dimethoxyphenyl)-3aα,6aα-dihydro-4H-cyclopenta-1,3-dioxole-4-one
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