[3-Acetoxy-4-(Acetoxymethyl)-12-Hydroxy-6A,12B-Dimethyl-11-Oxo-9-(3-Pyridinyl)-1,3,4,4A,5,6,6A,12,12A,12B-Decahydro-2H,11H-Benzo[F]Pyrano[4,3-B]Chromen-4-Yl]Methyl Propionate

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Properties Simple | Detailed

Formula C32H39NO10
IUPAC Name [5-acetoxy-6-(acetoxymethyl)-18-hydroxy-2,10-dimethyl-16-oxo-14-(3-pyridyl)-11,15-dioxatetracyclo[8.8.0.02,7.012,17]octadeca-12(17),13-dien-6-yl]methyl propanoate
Molecular Mass 597.653 g·mol−1
Heat of Formation -1736.5 ± 16.7 kJ·mol−1
Dipole Moment 2.60 ± 1.08 D
Volume 685.18 Å 3
Surface Area 522.28 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy 1.66 ± eV
Point Group Symmetry C1
InChIKey CHNDKXSVDUZFCZ-SLLHYCMZSA-N
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