Chem
J-GLOBAL ID:200907048490569556   Nikkaji number:J962.899A

2-(Pivaloyloxymethyl)-3-formyl-4,6-dihydroxy-5-[(2E)-3,7-dimethyl-2,6-octadienyl]benzoic acid methyl ester

2-(ピバロイルオキシメチル)-3-ホルミル-4,6-ジヒドロキシ-5-[(2E)-3,7-ジメチル-2,6-オクタジエニル]安息香酸メチル
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: C25H34O7
Molecular formula furigana: C25-H34-O7
Molecular weight: 446.540
InChI: InChI=1S/C25H34O7/c1-15(2)9-8-10-16(3)11-12-17-21(27)18(13-26)19(14-32-24(30)25(4,5)6)20(22(17)28)23(29)31-7/h9,11,13,27-28H,8,10,12,14H2,1-7H3/b16-11+
InChI key: AEXPOCUESWSBMG-LFIBNONCSA-N
SMILES: COC(=O)c1c(O)c(C/C=C(\C)/CCC=C(C)C)c(O)c(C=O)c1COC(=O)C(C)(C)C
Systematic name  (4):
  • 2-(ピバロイルオキシメチル)-3-ホルミル-4,6-ジヒドロキシ-5-[(2E)-3,7-ジメチル-2,6-オクタジエニル]安息香酸メチル
  • 2,4-ジヒドロキシ-3-[(2E)-3,7-ジメチル-2,6-オクタジエニル]-5-ホルミル-6-(ピバロイルオキシメチル)安息香酸メチル
  • メチル 3-[(2E)-3,7-ジメチルオクタ-2,6-ジエン-1-イル]-6-{[(2,2-ジメチルプロパノイル)オキシ]メチル}-5-ホルミル-2,4-ジヒドロキシベンゾアート
  • methyl 3-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-6-{[(2,2-dimethylpropanoyl)oxy]methyl}-5-formyl-2,4-dihydroxybenzoate
Other name (2):
  • 2-(Pivaloyloxymethyl)-3-formyl-4,6-dihydroxy-5-[(2E)-3,7-dimethyl-2,6-octadienyl]benzoic acid methyl ester
  • 2,4-Dihydroxy-3-[(2E)-3,7-dimethyl-2,6-octadienyl]-5-formyl-6-(pivaloyloxymethyl)benzoic acid methyl ester
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