Secosethukarailin

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Properties Simple | Detailed

Formula C23H30O8
IUPAC Name methyl (2r,5z)-5-acetonylidene-2-[(e,2s)-2-isopropenyl-5-methoxycarbonyl-7-oxo-oct-4-enyl]-2-methoxy-furan-3-carboxylate
Molecular Mass 434.480 g·mol−1
Heat of Formation -1254.6 ± 16.7 kJ·mol−1
Dipole Moment 9.13 ± 1.08 D
Volume 545.06 Å 3
Surface Area 417.61 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -1.58 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,5z)-5-acetonylidene-2-[(e,2s)-2-isopropenyl-5-methoxycarbonyl-7-oxooct-4-enyl]-2-methoxy-3-furancarboxylic acid methyl ester
  • (2r,5z)-5-acetonylidene-2-[(e,2s)-5-carbomethoxy-2-isopropenyl-7-keto-oct-4-enyl]-2-methoxy-furan-3-carboxylic acid methyl ester
  • 2-(2-isopropenyl-5-methoxycarbonyl-7-oxo-oct-4-enyl)-2-methoxy-5-(2-oxo-propylidene)-2,5-dihydro-furan-3-carboxylic acid methyl ester
  • methyl (2r,5z)-2-methoxy-2-[(e,2s)-5-methoxycarbonyl-7-oxo-2-prop-1-en-2-yl-oct-4-enyl]-5-(2-oxopropylidene)furan-3-carboxylate
  • methyl (2r,5z)-2-methoxy-2-[(e,2s)-5-methoxycarbonyl-7-oxo-2-prop-1-en-2-yloct-4-enyl]-5-(2-oxopropylidene)furan-3-carboxylate
  • methyl (2r,5z)-5-acetonylidene-2-[(e,2s)-2-isopropenyl-5-methoxycarbonyl-7-oxo-oct-4-enyl]-2-methoxy-furan-3-carboxylate
  • methyl rel-(2r,5z)-2-[(2s,4e)-2-isopropenyl-5-(methoxycarbonyl)-7-oxooct-4-en-1-yl]-2-methoxy-5-(2-oxopropylidene)-2,5-dihydrofuran-3-carboxylate
  • seco-sethukarailin
InChIKey DLDHIXFQQWPAHV-DBMFJDGMSA-N
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