Chem
J-GLOBAL ID：200907030082427054   Nikkaji number：J13.669G

Aspidin

アスピジン
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： C25H32O8
Molecular formula furigana： C25-H32-O8
Molecular weight： 460.523
InChI： InChI=1S/C25H32O8/c1-7-9-15(26)17-20(29)13(19(28)12(3)22(17)33-6)11-14-21(30)18(16(27)10-8-2)24(32)25(4,5)23(14)31/h28-29,31-32H,7-11H2,1-6H3
InChI key： DCEHSZHMKGBNHS-UHFFFAOYSA-N
SMILES： CCCC(=O)C1=C(O)C(C)(C)C(=C(Cc2c(O)c(C)c(OC)c(C(=O)CCC)c2O)C1=O)O
Systematic name  (4)：
  • 2-[[2,6-ジヒドロキシ-4-メトキシ-3-メチル-5-(1-オキソブチル)フェニル]メチル]-3,5-ジヒドロキシ-4,4-ジメチル-6-(1-オキソブチル)-2,5-シクロヘキサジエン-1-オン
  • 2-(1-オキソブチル)-3,5-ジヒドロキシ-4,4-ジメチル-6-(2,6-ジヒドロキシ-3-メチル-4-メトキシ-5-(1-オキソブチル)ベンジル)シクロヘキサ-2,5-ジエン-1-オン
  • 2-ブタノイル-6-[(3-ブタノイル-2,6-ジヒドロキシ-4-メトキシ-5-メチルフェニル)メチル]-3,5-ジヒドロキシ-4,4-ジメチルシクロヘキサ-2,5-ジエン-1-オン
  • 2-butanoyl-6-[(3-butanoyl-2,6-dihydroxy-4-methoxy-5-methylphenyl)methyl]-3,5-dihydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one
Other name (6)：
  • アスピジン
  • アスピジンBB
  • Aspidin
  • Aspidin BB
  • 2-[[2,6-Dihydroxy-4-methoxy-3-methyl-5-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-2,5-cyclohexadien-1-one
Show all
CAS registry number： 584-28-1
Regulation number (1)：
  • GU5505000
KEGG COMPOUND： C10672
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