Chem
J-GLOBAL ID:200907023590292966
Nikkaji number:J1.679.652B
(3aS)-2,2-Dimethyl-6-(3,4-dimethoxyphenyl)-3aα,6aα-dihydro-4H-cyclopenta-1,3-dioxole-4β-ol
(3aS)-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-4β-オール
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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:
C16 H20 O5
Molecular formula furigana:
C16-H20-O5
Molecular weight:
292.331
InChI:
InChI=1S/C16H20O5/c1-16(2)20-14-10(8-11(17)15(14)21-16)9-5-6-12(18-3)13(7-9)19-4/h5-8,11,14-15,17H,1-4H3/t11-,14+,15-/m0/s1
InChI key:
HQEJTGSFWCDJAD-GLQYFDAESA-N
SMILES:
COc1ccc(cc1OC)C1=C[C@H](O)[C@@H]2OC(C)(C)O[C@H]12
Systematic name (3):
(3aS)-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-4β-オール
(3aS,4S,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-オール
(3aS,4S,6aR)-6-(3,4-dimethoxyphenyl)-2,2-dimethyl-2H,3aH,4H,6aH-cyclopenta[d][1,3]dioxol-4-ol
Other name (1):
(3aS)-2,2-Dimethyl-6-(3,4-dimethoxyphenyl)-3aα,6aα-dihydro-4H-cyclopenta-1,3-dioxole-4β-ol
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