[(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-3-Iodo-Phenyl)Ethylamino]-4-Oxo-Butanoate

Molecule SVG Image

Properties Simple | Detailed

Formula C32H44IN4O8
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-3-iodo-phenyl)ethylamino]-4-oxo-butanoate
Molecular Mass 739.618 g·mol−1
Heat of Formation -1140.7 ± 16.7 kJ·mol−1
Dipole Moment 5.53 ± 1.08 D
Volume 758.99 Å 3
Surface Area 522.28 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy -0.82 ± eV
Point Group Symmetry C1
InChIKey OSLAEWHIPTXSEX-ZVHPZFBOSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements I H C O N