Chem
J-GLOBAL ID：200907017591860003   Nikkaji number：J1.231.670D

KushenolW

クシェノールW
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： C21H22O7
Molecular formula furigana： C21-H22-O7
Molecular weight： 386.400
InChI： InChI=1S/C21H22O7/c1-10(2)4-5-11-13(22)8-16(25)20-17(26)9-18(28-21(11)20)12-6-19(27-3)15(24)7-14(12)23/h4,6-8,18,22-25H,5,9H2,1-3H3/t18-/m0/s1
InChI key： IPQQRODECSTJDH-SFHVURJKSA-N
SMILES： COc1cc([C@@H]2CC(=O)c3c(O)cc(O)c(CC=C(C)C)c3O2)c(O)cc1O
Systematic name  (3)：
  • (2S)-2′,4′,5,7-テトラヒドロキシ-5′-メトキシ-8-(3-メチル-2-ブテニル)フラバノン
  • (2S)-2-(2,4-ジヒドロキシ-5-メトキシフェニル)-5,7-ジヒドロキシ-8-(3-メチルブタ-2-エン-1-イル)-3,4-ジヒドロ-2H-1-ベンゾピラン-4-オン
  • (2S)-2-(2,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-1-benzopyran-4-one
Other name (3)：
  • (2S)-2′,4′,5,7-Tetrahydroxy-5′-methoxy-8-(3-methyl-2-butenyl)flavanone
  • クシェノールW
  • KushenolW
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