Chem
J-GLOBAL ID：200907005838972510   Nikkaji number：J696.393E

Kuwanon J

クワノンJ
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： C40H38O10
Molecular formula furigana： C40-H38-O10
Molecular weight： 678.734
InChI： InChI=1S/C40H38O10/c1-20(2)4-9-26-32(44)14-12-28(38(26)48)40(50)36-29(25-10-8-24(42)19-35(25)47)16-21(3)17-30(36)37-33(45)15-11-27(39(37)49)31(43)13-6-22-5-7-23(41)18-34(22)46/h4-8,10-15,17-19,29-30,36,41-42,44-49H,9,16H2,1-3H3/b13-6+/t29-,30+,36-/m0/s1
InChI key： KBAPHKOHTBBCTO-SDHKVNBFSA-N
SMILES： CC(=CCc1c(O)ccc(C(=O)[C@H]2[C@@H](CC(=C[C@H]2c2c(O)ccc(C(=O)/C=C/c3ccc(O)cc3O)c2O)C)c2ccc(O)cc2O)c1O)C
Systematic name  (3)：
  • [2α-[2,6-ジヒドロキシ-3-[(E)-3-(2,4-ジヒドロキシフェニル)アクリロイル]フェニル]-4-メチル-6β-(2,4-ジヒドロキシフェニル)-3-シクロヘキセン-1α-イル][2,4-ジヒドロキシ-3-(3-メチル-2-ブテン-1-イル)フェニル]メタノン
  • (2E)-1-{3-[(1R,5R,6S)-6-[2,4-ジヒドロキシ-3-(3-メチルブタ-2-エン-1-イル)ベンゾイル]-5-(2,4-ジヒドロキシフェニル)-3-メチルシクロヘキサ-2-エン-1-イル]-2,4-ジヒドロキシフェニル}-3-(2,4-ジヒドロキシフェニル)プロパ-2-エン-1-オン
  • (2E)-1-{3-[(1R,5R,6S)-6-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl}-3-(2,4-dihydroxyphenyl)prop-2-en-1-one
Other name (3)：
  • クワノンJ
  • Kuwanon J
  • [2α-[2,6-Dihydroxy-3-[(E)-3-(2,4-dihydroxyphenyl)acryloyl]phenyl]-4-methyl-6β-(2,4-dihydroxyphenyl)-3-cyclohexen-1α-yl][2,4-dihydroxy-3-(3-methyl-2-buten-1-yl)phenyl]methanone
Thsaurus map：
Thesaurus Map

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