Chem
J-GLOBAL ID：200907045764876940
Nikkaji number：J2.489.825C
(3S)-3α-Dodecanoyl-4β,6β-dimethyltetrahydro-2H-pyran-2-one
(3S,4S,6R)-3-ドデカノイル-4,6-ジメチルオキサン-2-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： C19H34O3
Molecular formula furigana： C19-H34-O3
Molecular weight： 310.478
InChI：
InChI=1S/C19H34O3/c1-4-5-6-7-8-9-10-11-12-13-17(20)18-15(2)14-16(3)22-19(18)21/h15-16,18H,4-14H2,1-3H3/t15-,16+,18-/m0/s1
InChI key：
DIPXKPDEFBRLPH-JZXOWHBKSA-N
SMILES：
CCCCCCCCCCCC(=O)[C@@H]1[C@@H](C)C[C@@H](C)OC1=O
Systematic name (3)：
- (3S)-3α-ドデカノイル-4β,6β-ジメチルテトラヒドロ-2H-ピラン-2-オン
- (3S,4S,6R)-3-ドデカノイル-4,6-ジメチルオキサン-2-オン
- (3S,4S,6R)-3-dodecanoyl-4,6-dimethyloxan-2-one
- (3S)-3α-Dodecanoyl-4β,6β-dimethyltetrahydro-2H-pyran-2-one
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