Chem
J-GLOBAL ID：200907078281366458
Nikkaji number：J1.679.650F
(3aα,6aα)-2,2-Dimethyl-6β-hydroxy-6-(3,4-dimethoxyphenyl)tetrahydro-4H-cyclopenta-1,3-dioxole-4-one
(3aα,6aα)-2,2-ジメチル-6β-ヒドロキシ-6-(3,4-ジメトキシフェニル)テトラヒドロ-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： C16H20O6
Molecular formula furigana： C16-H20-O6
Molecular weight： 308.330
InChI：
InChI=1S/C16H20O6/c1-15(2)21-13-10(17)8-16(18,14(13)22-15)9-5-6-11(19-3)12(7-9)20-4/h5-7,13-14,18H,8H2,1-4H3/t13-,14-,16-/m0/s1
InChI key：
CCOHXANNZRISPZ-DZKIICNBSA-N
SMILES：
COc1ccc(cc1OC)[C@@]1(O)CC(=O)[C@@H]2OC(C)(C)O[C@H]12
Systematic name (3)：
- (3aα,6aα)-2,2-ジメチル-6β-ヒドロキシ-6-(3,4-ジメトキシフェニル)テトラヒドロ-4H-シクロペンタ-1,3-ジオキソール-4-オン
- (3aR,6S,6aS)-6-(3,4-ジメトキシフェニル)-6-ヒドロキシ-2,2-ジメチル-ヘキサヒドロシクロペンタ[d][1,3]ジオキソール-4-オン
- (3aR,6S,6aS)-6-(3,4-dimethoxyphenyl)-6-hydroxy-2,2-dimethyl-hexahydrocyclopenta[d][1,3]dioxol-4-one
- (3aα,6aα)-2,2-Dimethyl-6β-hydroxy-6-(3,4-dimethoxyphenyl)tetrahydro-4H-cyclopenta-1,3-dioxole-4-one
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