[(3R,4Ar,5S,6S,6As,10S,10Ar,10Bs)-6-[2-[3-(4-Azido-3-Iodo-Phenyl)Propanoylamino]Ethylcarbamoyloxy]-10,10B-Dihydroxy-3,4A,7,7,10A-Pentamethyl-1-Oxo-3-Vinyl-5,6,6A,8,9,10-Hexahydro-2H-Benzo[F]Chromen-5-Yl] Acetate

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Formula C34H47IN5O9
IUPAC Name [(3r,4ar,5s,6s,6as,10s,10ar,10bs)-6-[2-[3-(4-azido-3-iodo-phenyl)propanoylamino]ethylcarbamoyloxy]-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-5,6,6a,8,9,10-hexahydro-2h-benzo[f]chromen-5-yl] acetate
Molecular Mass 796.669 g·mol−1
Heat of Formation -1362.1 ± 16.7 kJ·mol−1
Dipole Moment 4.94 ± 1.08 D
Volume 818.65 Å 3
Surface Area 515.57 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
InChIKey ATVSPTPYEDXHKU-CAODFLCMSA-N
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