Chem
J-GLOBAL ID：200907031557028083
Nikkaji number：J1.868.148J
(3R,4R)-4-(Benzoyloxy)hexane-3-ol
(3R,4R)-4-(ベンゾイルオキシ)ヘキサン-3-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： C13H18O3
Molecular formula furigana： C13-H18-O3
Molecular weight： 222.284
InChI：
InChI=1S/C13H18O3/c1-3-11(14)12(4-2)16-13(15)10-8-6-5-7-9-10/h5-9,11-12,14H,3-4H2,1-2H3/t11-,12-/m1/s1
InChI key：
NPVCDJYSOXRQIL-VXGBXAGGSA-N
SMILES：
CC[C@@H](O)[C@@H](CC)OC(=O)c1ccccc1
Systematic name (3)：
- (3R,4R)-4-(ベンゾイルオキシ)ヘキサン-3-オール
- (3R,4R)-4-ヒドロキシヘキサン-3-イル ベンゾアート
- (3R,4R)-4-hydroxyhexan-3-yl benzoate
- (3R,4R)-4-(Benzoyloxy)hexane-3-ol
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