Chem
J-GLOBAL ID:200907098717257332
Nikkaji number:J1.562.876F
3-(6-Hydroxy-1,3-benzodioxole-5-yl)-6-(3-hydroxy-3-methylbutyl)-7-methoxychromone
3-(6-ヒドロキシ-1,3-ベンゾジオキソール-5-イル)-6-(3-ヒドロキシ-3-メチルブチル)-7-メトキシクロモン
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Substance type:
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
Molecular formula:
C22 H22 O7
Molecular formula furigana:
C22-H22-O7
Molecular weight:
398.411
InChI:
InChI=1S/C22H22O7/c1-22(2,25)5-4-12-6-14-18(9-17(12)26-3)27-10-15(21(14)24)13-7-19-20(8-16(13)23)29-11-28-19/h6-10,23,25H,4-5,11H2,1-3H3
InChI key:
ZNZCCIZUMBBUDQ-UHFFFAOYSA-N
SMILES:
COc1cc2occ(c3cc4OCOc4cc3O)c(=O)c2cc1CCC(C)(C)O
Systematic name (3):
3-(6-ヒドロキシ-1,3-ベンゾジオキソール-5-イル)-6-(3-ヒドロキシ-3-メチルブチル)-7-メトキシクロモン
3-(6-ヒドロキシ-2H-1,3-ベンゾジオキソール-5-イル)-6-(3-ヒドロキシ-3-メチルブチル)-7-メトキシ-4H-クロメン-4-オン
3-(6-hydroxy-2H-1,3-benzodioxol-5-yl)-6-(3-hydroxy-3-methylbutyl)-7-methoxy-4H-chromen-4-one
Other name (1):
3-(6-Hydroxy-1,3-benzodioxole-5-yl)-6-(3-hydroxy-3-methylbutyl)-7-methoxychromone
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