Chem
J-GLOBAL ID：200907011606570106   Nikkaji number：J602.968J

Kolaflavanone

コラフラバノン
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： C31H24O12
Molecular formula furigana： C31-H24-O12
Molecular weight： 588.521
InChI： InChI=1S/C31H24O12/c1-41-22-7-4-14(8-17(22)34)23-12-20(37)25-19(36)11-21(38)27(28(25)42-23)31(40)29(39)26-18(35)9-16(33)10-24(26)43-30(31)13-2-5-15(32)6-3-13/h2-11,23,30,32-36,38,40H,12H2,1H3/t23-,30+,31+/m1/s1
InChI key： YTERXHWSANZOCE-VBDKILDKSA-N
SMILES： COc1ccc(cc1O)[C@H]1CC(=O)c2c(O)cc(O)c(c2O1)[C@@]1(O)[C@@H](Oc2cc(O)cc(O)c2C1=O)c1ccc(O)cc1
Systematic name  (3)：
  • (2S,2′R,3R)-2,2′,3,3′-テトラヒドロ-3,5,5′,7,7′-ペンタヒドロキシ-2′-(3-ヒドロキシ-4-メトキシフェニル)-2-(4-ヒドロキシフェニル)-3,8′-ビ(4H-1-ベンゾピラン)-4,4′-ジオン
  • (2S,3R)-3-[(2R)-5,7-ジヒドロキシ-2-(3-ヒドロキシ-4-メトキシフェニル)-4-オキソ-3,4-ジヒドロ-2H-1-ベンゾピラン-8-イル]-3,5,7-トリヒドロキシ-2-(4-ヒドロキシフェニル)-3,4-ジヒドロ-2H-1-ベンゾピラン-4-オン
  • (2S,3R)-3-[(2R)-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-8-yl]-3,5,7-trihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
Other name (3)：
  • コラフラバノン
  • Kolaflavanone
  • (2S,2′R,3R)-2,2′,3,3′-Tetrahydro-3,5,5′,7,7′-pentahydroxy-2′-(3-hydroxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)-3,8′-bi(4H-1-benzopyran)-4,4′-dione
CAS registry number： 68705-66-8
KEGG COMPOUND： C09761
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