Chem
J-GLOBAL ID：200907009541512044   Nikkaji number：J912.664C

Cassumunin B

カッスムニンB
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： C34H36O9
Molecular formula furigana： C34-H36-O9
Molecular weight： 588.653
InChI： InChI=1S/C34H36O9/c1-21(7-11-24-18-31(41-4)32(42-5)20-29(24)39-2)27-15-23(17-33(43-6)34(27)38)9-13-26(36)19-25(35)12-8-22-10-14-28(37)30(16-22)40-3/h7-18,20-21,37-38H,19H2,1-6H3/b11-7+,12-8+,13-9+
InChI key： FSVGYHVNJVVGFN-UQYOVKQCSA-N
SMILES： COc1cc(/C=C/C(=O)CC(=O)/C=C/c2cc(OC)c(O)c(c2)C(C)/C=C/c2cc(OC)c(OC)cc2OC)ccc1O
Systematic name  (3)：
  • (1E,6E)-1-[4-ヒドロキシ-3-メトキシ-5-[(E)-1-メチル-3-(2,4,5-トリメトキシフェニル)-2-プロペニル]フェニル]-7-(4-ヒドロキシ-3-メトキシフェニル)-1,6-ヘプタジエン-3,5-ジオン
  • (1E,6E)-1-{4-ヒドロキシ-3-メトキシ-5-[(3E)-4-(2,4,5-トリメトキシフェニル)ブタ-3-エン-2-イル]フェニル}-7-(4-ヒドロキシ-3-メトキシフェニル)ヘプタ-1,6-ジエン-3,5-ジオン
  • (1E,6E)-1-{4-hydroxy-3-methoxy-5-[(3E)-4-(2,4,5-trimethoxyphenyl)but-3-en-2-yl]phenyl}-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
Other name (3)：
  • カッスムニンB
  • Cassumunin B
  • (1E,6E)-1-[4-Hydroxy-3-methoxy-5-[(E)-1-methyl-3-(2,4,5-trimethoxyphenyl)-2-propenyl]phenyl]-7-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione
CAS registry number： 146763-91-9
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