Chem
J-GLOBAL ID：200907043313721001
Nikkaji number：J464.578B
(2S)-2β-[2-Methyl-3-oxo(2,3-2H2)propyl]-5β-acetoxy-6α-methyl-5,6-dihydro-2H-pyran
(2S)-2β-[2-メチル-3-オキソ(2,3-2H2)プロピル]-5β-アセトキシ-6α-メチル-5,6-ジヒドロ-2H-ピラン
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： C12H16[2H]2O4
Molecular formula furigana： C12-H18-O4
Molecular weight： 228.284
InChI：
InChI=1S/C12H18O4/c1-8(7-13)6-11-4-5-12(9(2)15-11)16-10(3)14/h4-5,7-9,11-12H,6H2,1-3H3/t8?,9-,11+,12+/m0/s1/i7D,8D
InChI key：
LZZPJRPDORZWHU-UHZXAFKYSA-N
SMILES：
C(=O)([2H])C([2H])(C)C[C@@H]1O[C@@H](C)[C@H](OC(=O)C)C=C1
Systematic name (3)：
- (2S)-2β-[2-メチル-3-オキソ(2,3-2H2)プロピル]-5β-アセトキシ-6α-メチル-5,6-ジヒドロ-2H-ピラン
- (2S,3R,6S)-2-メチル-6-[2-メチル-3-オキソ(2,3-2H2)プロピル]-3,6-ジヒドロ-2H-ピラン-3-イル アセタート
- (2S,3R,6S)-2-methyl-6-[2-methyl-3-oxo(2,3-2H2)propyl]-3,6-dihydro-2H-pyran-3-yl acetate
- (2S)-2β-[2-Methyl-3-oxo(2,3-2H2)propyl]-5β-acetoxy-6α-methyl-5,6-dihydro-2H-pyran
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