Chem
J-GLOBAL ID：200907009330089340
Nikkaji number：J951.834G
2β,6β-Dimethyl-5α-benzyl-1,3-dioxane-4-one
2β,6β-ジメチル-5α-ベンジル-1,3-ジオキサン-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： C13H16O3
Molecular formula furigana： C13-H16-O3
Molecular weight： 220.268
InChI：
InChI=1S/C13H16O3/c1-9-12(13(14)16-10(2)15-9)8-11-6-4-3-5-7-11/h3-7,9-10,12H,8H2,1-2H3/t9-,10-,12-/m1/s1
InChI key：
DFRYJRDRQZBTMU-CKYFFXLPSA-N
SMILES：
C[C@@H]1O[C@H](C)[C@@H](Cc2ccccc2)C(=O)O1
Systematic name (3)：
- 2β,6β-ジメチル-5α-ベンジル-1,3-ジオキサン-4-オン
- (2R,5R,6R)-5-ベンジル-2,6-ジメチル-1,3-ジオキサン-4-オン
- (2R,5R,6R)-5-benzyl-2,6-dimethyl-1,3-dioxan-4-one
- 2β,6β-Dimethyl-5α-benzyl-1,3-dioxane-4-one
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