Chem
J-GLOBAL ID：200907003566793309   Nikkaji number：J912.663E

Cassumunin A

カッスムニンA
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： C33H34O8
Molecular formula furigana： C33-H34-O8
Molecular weight： 558.627
InChI： InChI=1S/C33H34O8/c1-21(6-7-22-11-15-29(38-2)31(18-22)40-4)27-16-24(19-32(41-5)33(27)37)9-13-26(35)20-25(34)12-8-23-10-14-28(36)30(17-23)39-3/h6-19,21,36-37H,20H2,1-5H3/b7-6+,12-8+,13-9+
InChI key： JNTVWGHEMUSWQN-BRLOHPTNSA-N
SMILES： COc1cc(/C=C/C(=O)CC(=O)/C=C/c2cc(OC)c(O)c(c2)C(C)/C=C/c2ccc(OC)c(OC)c2)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-(3,4-ジメトキシフェニル)-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-{3-[(3E)-4-(3,4-ジメトキシフェニル)ブタ-3-エン-2-イル]-4-ヒドロキシ-5-メトキシフェニル}-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-{3-[(3E)-4-(3,4-dimethoxyphenyl)but-3-en-2-yl]-4-hydroxy-5-methoxyphenyl}-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
Other name (3)：
  • カッスムニンA
  • Cassumunin A
  • (1E,6E)-1-[4-Hydroxy-3-methoxy-5-[(E)-1-methyl-3-(3,4-dimethoxyphenyl)-2-propenyl]phenyl]-7-(4-hydroxy-3-methoxyphenyl)-1,6-heptadiene-3,5-dione
CAS registry number： 146763-90-8
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