Chem
J-GLOBAL ID：201007079508745253
Nikkaji number：J2.822.770A
5β-(o-Methoxyphenyl)-6α-methyltetrahydro-2H-pyran-2-one
(5S,6S)-5-(2-メトキシフェニル)-6-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： C13H16O3
Molecular formula furigana： C13-H16-O3
Molecular weight： 220.268
InChI：
InChI=1S/C13H16O3/c1-9-10(7-8-13(14)16-9)11-5-3-4-6-12(11)15-2/h3-6,9-10H,7-8H2,1-2H3/t9-,10+/m0/s1
InChI key：
QPEKBXFCNXLJOI-VHSXEESVSA-N
SMILES：
COc1ccccc1[C@@H]1CCC(=O)O[C@H]1C
Systematic name (3)：
- 5β-(o-メトキシフェニル)-6α-メチルテトラヒドロ-2H-ピラン-2-オン
- (5S,6S)-5-(2-メトキシフェニル)-6-メチルオキサン-2-オン
- (5S,6S)-5-(2-methoxyphenyl)-6-methyloxan-2-one
- 5β-(o-Methoxyphenyl)-6α-methyltetrahydro-2H-pyran-2-one
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