Chem
J-GLOBAL ID:200907001073917324   Nikkaji number:J2.738.941D

Kievitone hydrate

キエビトン水和物
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: C20H22O7
Molecular formula furigana: C20-H22-O7
Molecular weight: 374.389
InChI: InChI=1S/C20H22O7/c1-20(2,26)6-5-12-15(23)8-16(24)17-18(25)13(9-27-19(12)17)11-4-3-10(21)7-14(11)22/h3-4,7-8,13,21-24,26H,5-6,9H2,1-2H3
InChI key: QISUKJAAXYVLMA-UHFFFAOYSA-N
SMILES: CC(C)(O)CCc1c(O)cc(O)c2C(=O)C(COc12)c1ccc(O)cc1O
Systematic name  (3):
  • 3-(2,4-ジヒドロキシフェニル)-8-(3-ヒドロキシ-3-メチルブチル)-5,7-ジヒドロキシ-2,3-ジヒドロ-4H-1-ベンゾピラン-4-オン
  • 3-(2,4-ジヒドロキシフェニル)-5,7-ジヒドロキシ-8-(3-ヒドロキシ-3-メチルブチル)-3,4-ジヒドロ-2H-1-ベンゾピラン-4-オン
  • 3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-hydroxy-3-methylbutyl)-3,4-dihydro-2H-1-benzopyran-4-one
Other name (3):
  • 3-(2,4-Dihydroxyphenyl)-8-(3-hydroxy-3-methylbutyl)-5,7-dihydroxy-2,3-dihydro-4H-1-benzopyran-4-one
  • Kievitone hydrate
  • キエビトン水和物
CAS registry number: 62682-11-5
KEGG COMPOUND: C02549
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