Methyl (2R,3R,6R,8S,9R,12S,13S,14S,15R,16R,17R)-3-{[(2E)-3,4-Dimethyl-2-Pentenoyl]Oxy}-12,15,16-Trihydroxy-9,13-Dimethyl-4,11-Dioxo-5,19-Dioxapentacyclo[12.5.0.0~1,6~.0~2,17~.0~8,13~]Nonadecane-17-Carboxylate

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Formula C28H38O11
IUPAC Name methyl (2r,3r,6r,8s,9r,12s,13s,14s,15r,16r,17r)-3-{[(2e)-3,4-dimethyl-2-pentenoyl]oxy}-12,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,19-dioxapentacyclo[12.5.0.0 1,6 .0 2,17 .0 8,13 ]nonadecane-17-carboxylate
Molecular Mass 550.595 g·mol−1
Heat of Formation -1976.3 ± 16.7 kJ·mol−1
Dipole Moment 8.00 ± 1.08 D
Volume 625.02 Å 3
Surface Area 456.35 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy 2.94 ± eV
Point Group Symmetry C1
InChIKey QUFIQQXAIBYXLR-FVECMJHFSA-N
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