Chem
J-GLOBAL ID:200907000058605190   Nikkaji number:J15.503I

Trisdesaspidin

トリスデスアスピジン
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: C35H42O12
Molecular formula furigana: C35-H42-O12
Molecular weight: 654.709
InChI: InChI=1S/C35H42O12/c1-7-10-20(36)25-23(39)15-24(47-6)16(29(25)41)13-17-28(40)18(31(43)26(30(17)42)21(37)11-8-2)14-19-32(44)27(22(38)12-9-3)34(46)35(4,5)33(19)45/h15,39-43,45-46H,7-14H2,1-6H3
InChI key: NPUUBQONMATWDL-UHFFFAOYSA-N
SMILES: CCCC(=O)C1=C(O)C(C)(C)C(=C(Cc2c(O)c(Cc3c(O)c(C(=O)CCC)c(O)cc3OC)c(O)c(C(=O)CCC)c2O)C1=O)O
Systematic name  (3):
  • 2-[[3-[[2,4-ジヒドロキシ-6-メトキシ-3-(1-オキソブチル)フェニル]メチル]-2,4,6-トリヒドロキシ-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-ブタノイル-6-({3-ブタノイル-5-[(3-ブタノイル-2,4-ジヒドロキシ-6-メトキシフェニル)メチル]-2,4,6-トリヒドロキシフェニル}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-5-[(3-butanoyl-2,4-dihydroxy-6-methoxyphenyl)methyl]-2,4,6-trihydroxyphenyl}methyl)-3,5-dihydroxy-4,4-dimethylcyclohexa-2,5-dien-1-one
Other name (3):
  • トリスデスアスピジン
  • Trisdesaspidin
  • 2-[[3-[[2,4-Dihydroxy-6-methoxy-3-(1-oxobutyl)phenyl]methyl]-2,4,6-trihydroxy-5-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-2,5-cyclohexadien-1-one
CAS registry number: 20213-24-5
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