[(3R,4As,5R,6R,6Ar,10R,10As,10Br)-6,10,10B-Trihydroxy-3,4A,7,7,10A-Pentamethyl-1-Oxo-3-Vinyl-5,6,6A,8,9,10-Hexahydro-2H-Benzo[F]Chromen-5-Yl] 4-[2-[(4-Azido-2-Hydroxy-3-Iodo-Benzoyl)Amino]Ethylamino]-4-Oxo-Butanoate

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Formula C33H44IN5O10
IUPAC Name [(3r,4as,5r,6r,6ar,10r,10as,10br)-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-5,6,6a,8,9,10-hexahydro-2h-benzo[f]chromen-5-yl] 4-[2-[(4-azido-2-hydroxy-3-iodo-benzoyl)amino]ethylamino]-4-oxo-butanoate
Molecular Mass 797.634 g·mol−1
Heat of Formation -1474.0 ± 16.7 kJ·mol−1
Dipole Moment 5.51 ± 1.08 D
Volume 805.61 Å 3
Surface Area 547.64 Å 2
HOMO Energy -8.69 ± 0.55 eV
LUMO Energy 1.80 ± eV
Point Group Symmetry C1
InChIKey DDJIHKYLCUGPEL-JFHNSAMMSA-N
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