Methyl (2S,4Ar,6Ar,7R,9S,10As,10Br)-9-(Benzoyloxy)-2-(3-Furyl)-6A,10B-Dimethyl-4,10-Dioxododecahydro-2H-Benzo[F]Isochromene-7-Carboxylate

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Formula C28H30O8
IUPAC Name methyl (2s,4ar,6ar,7r,9s,10as,10br)-9-(benzoyloxy)-2-furan-3-yl-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1h-benzo[f]isochromene-7-carboxylate
Molecular Mass 494.533 g·mol−1
Heat of Formation -1215.9 ± 16.7 kJ·mol−1
Dipole Moment 4.85 ± 1.08 D
Volume 566.67 Å 3
Surface Area 444.72 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy 2.34 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,4ar,6ar,7r,9s,10as,10br)-2-(3-furyl)-6a,10b-dimethyl-4,10-dioxo-9-(oxo-phenylmethoxy)-2,4a,5,6,7,8,9,10a-octahydro-1h-benzo[f]isochromene-7-carboxylic acid methyl ester
  • (2s,4ar,6ar,7r,9s,10as,10br)-9-(benzoyloxy)-2-(3-furyl)-4,10-diketo-6a,10b-dimethyl-2,4a,5,6,7,8,9,10a-octahydro-1h-benzo[f]isochromene-7-carboxylic acid methyl ester
  • methyl (2s,4ar,6ar,7r,9s,10as,10br)-2-furan-3-yl-6a,10b-dimethyl-4,10-dioxo-9-phenylcarbonyloxy-2,4a,5,6,7,8,9,10a-octahydro-1h-benzo[f]isochromene-7-carboxylate
  • methyl (2s,4ar,6ar,7r,9s,10as,10br)-9-(benzoyloxy)-2-(3-furyl)-6a,10b-dimethyl-4,10-dioxo-2,4a,5,6,7,8,9,10a-octahydro-1h-benzo[f]isochromene-7-carboxylate
InChIKey PYDQMXRFUVDCHC-XAGHGKQISA-N
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