Chem
J-GLOBAL ID：200907000890317189
Nikkaji number：J2.172.901I
(3aS)-2,2-Dimethyl-3aα,4,7,7aβ-tetrahydro-1,3-benzodioxole-4,7-diol
(3aS)-2,2-ジメチル-3aα,4,7,7aβ-テトラヒドロ-1,3-ベンゾジオキソール-4,7-ジオール
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： C9H14O4
Molecular formula furigana： C9-H14-O4
Molecular weight： 186.207
InChI：
InChI=1S/C9H14O4/c1-9(2)12-7-5(10)3-4-6(11)8(7)13-9/h3-8,10-11H,1-2H3/t5?,6?,7-,8-/m0/s1
InChI key：
BJOPOVQRPOSWLW-GHNGIAPOSA-N
SMILES：
CC1(C)O[C@@H]2[C@@H](O1)C(O)C=CC2O
Systematic name (3)：
- (3aS)-2,2-ジメチル-3aα,4,7,7aβ-テトラヒドロ-1,3-ベンゾジオキソール-4,7-ジオール
- (3aS,7aS)-2,2-ジメチル-3a,4,7,7a-テトラヒドロ-2H-1,3-ベンゾジオキソール-4,7-ジオール
- (3aS,7aS)-2,2-dimethyl-3a,4,7,7a-tetrahydro-2H-1,3-benzodioxole-4,7-diol
- (3aS)-2,2-Dimethyl-3aα,4,7,7aβ-tetrahydro-1,3-benzodioxole-4,7-diol
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