Chem
J-GLOBAL ID：200907043447495571
Nikkaji number：J1.668.617D
(3aβ,7aβ)-2,2-Dimethyl-7α-(benzyloxymethyl)hexahydro-1,3-benzodioxole-4β,5β-diol
(3aβ,7aβ)-2,2-ジメチル-7α-(ベンジルオキシメチル)ヘキサヒドロ-1,3-ベンゾジオキソール-4β,5β-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： C17H24O5
Molecular formula furigana： C17-H24-O5
Molecular weight： 308.374
InChI：
InChI=1S/C17H24O5/c1-17(2)21-15-12(8-13(18)14(19)16(15)22-17)10-20-9-11-6-4-3-5-7-11/h3-7,12-16,18-19H,8-10H2,1-2H3/t12-,13+,14+,15+,16-/m1/s1
InChI key：
LYAKJMKQMSYUJU-OLMNGRFOSA-N
SMILES：
CC1(C)O[C@@H]2[C@H](O1)[C@@H](O)[C@@H](O)C[C@@H]2COCc1ccccc1
Systematic name (3)：
- (3aβ,7aβ)-2,2-ジメチル-7α-(ベンジルオキシメチル)ヘキサヒドロ-1,3-ベンゾジオキソール-4β,5β-ジオール
- (3aR,4S,5S,7R,7aS)-7-[(ベンジルオキシ)メチル]-2,2-ジメチル-ヘキサヒドロ-2H-1,3-ベンゾジオキソール-4,5-ジオール
- (3aR,4S,5S,7R,7aS)-7-[(benzyloxy)methyl]-2,2-dimethyl-hexahydro-2H-1,3-benzodioxole-4,5-diol
- (3aβ,7aβ)-2,2-Dimethyl-7α-(benzyloxymethyl)hexahydro-1,3-benzodioxole-4β,5β-diol
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