Chem
J-GLOBAL ID：200907086029418650
Nikkaji number：J475.314C
5-(2,3-ジヒドロキシ-3-メチルブトキシ)-7-メトキシ-2H-クロメン-2-オン
5-(2,3-ジヒドロキシ-3-メチルブトキシ)-7-メトキシ-2H-クロメン-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： C15H18O6
Molecular formula furigana： C15-H18-O6
Molecular weight： 294.303
InChI：
InChI=1S/C15H18O6/c1-15(2,18)13(16)8-20-11-6-9(19-3)7-12-10(11)4-5-14(17)21-12/h4-7,13,16,18H,8H2,1-3H3
InChI key：
MRPDDCRMESNQMI-UHFFFAOYSA-N
SMILES：
COc1cc(OCC(O)C(C)(C)O)c2ccc(=O)oc2c1
Systematic name (3)：
- 5-(2,3-ジヒドロキシ-3-メチルブトキシ)-7-メトキシ-2H-1-ベンゾピラン-2-オン
- 5-(2,3-ジヒドロキシ-3-メチルブトキシ)-7-メトキシ-2H-クロメン-2-オン
- 5-(2,3-dihydroxy-3-methylbutoxy)-7-methoxy-2H-chromen-2-one
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