Methyl (1R,2E,4S,5R,9R,11S,12S)-1-Hydroxy-5-Isopropyl-8,12-Dimethyl-11-{[(2E)-3-(1-Methyl-1H-Imidazol-4-Yl)-2-Propenoyl]Oxy}-15-Oxatricyclo[10.2.1.0~4,9~]Pentadeca-2,7,13-Triene-2-Carboxylate

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Properties Simple | Detailed

Formula C28H36N2O6
IUPAC Name methyl (1r,2e,4s,5r,9r,11s,12s)-1-hydroxy-5-isopropyl-8,12-dimethyl-11-{[(2e)-3-(1-methyl-1h-imidazol-4-yl)-2-propenoyl]oxy}-15-oxatricyclo[10.2.1.0 4,9 ]pentadeca-2,7,13-triene-2-carboxylate
Molecular Mass 496.595 g·mol−1
Heat of Formation -841.1 ± 16.7 kJ·mol−1
Dipole Moment 8.27 ± 1.08 D
Volume 605.3 Å 3
Surface Area 489.33 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy 2.41 ± eV
Point Group Symmetry C1
Synonyms
  • (z)-sarcodictyin a
  • 1-hydroxy-5-isopropyl-8,12-dimethyl-11-[3-(1-methyl-1h-imidazol-4-yl)-acryloyloxy]-15-oxa-tricyclo[10.2.1.0^4,9]pentadeca-2,7,13-triene-2-carboxylic acid methyl ester
  • 7,10-epoxybenzocyclodecene-6-carboxylic acid, 3,4,4a,7,10,11,12,12a-octahydro-7-hydroxy-1,10-dimethyl-4-(1-methylethyl)-11-[[(2z)-3-(1-methyl-1h-imidazol-4-yl)-1-oxo-2-propenyl]oxy]-, methyl ester, (4
  • methyl rel-(4r,4as,5e,7r,10s,11s,12ar)-7-hydroxy-4-isopropyl-1,10-dimethyl-11-{[(2z)-3-(1-methyl-1h-imidazol-4-yl)prop-2-enoyl]oxy}-3,4,4a,7,10,11,12,12a-octahydro-7,10-epoxybenzo[10]annulene-6-carbox
  • sarcodictyin a
InChIKey VHZOZCRALQEBDG-BEMXCNERSA-N
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