Chem
J-GLOBAL ID：200907055572841544   Nikkaji number：J1.231.671B

KushenolX

クシェノールX
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： C25H28O7
Molecular formula furigana： C25-H28-O7
Molecular weight： 440.492
InChI： InChI=1S/C25H28O7/c1-12(2)5-6-14(13(3)4)9-17-19(28)11-20(29)21-22(30)23(31)25(32-24(17)21)16-8-7-15(26)10-18(16)27/h5,7-8,10-11,14,23,25-29,31H,3,6,9H2,1-2,4H3/t14?,23-,25-/m0/s1
InChI key： ZJRPDIPXWGIHRB-MLDBLENXSA-N
SMILES： CC(=CCC(Cc1c(O)cc(O)c2C(=O)[C@H](O)[C@@H](Oc12)c1ccc(O)cc1O)C(=C)C)C
Systematic name  (3)：
  • (2S)-2′,3β,4′,5,7-ペンタヒドロキシ-8-[2-(1-メチルエテニル)-5-メチル-4-ヘキセニル]フラバノン
  • (2S,3R)-2-(2,4-ジヒドロキシフェニル)-3,5,7-トリヒドロキシ-8-[5-メチル-2-(プロパ-1-エン-2-イル)ヘキサ-4-エン-1-イル]-3,4-ジヒドロ-2H-1-ベンゾピラン-4-オン
  • (2S,3R)-2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-8-[5-methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl]-3,4-dihydro-2H-1-benzopyran-4-one
Other name (3)：
  • (2S)-2′,3β,4′,5,7-Pentahydroxy-8-[2-(1-methylethenyl)-5-methyl-4-hexenyl]flavanone
  • クシェノールX
  • KushenolX
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