[(1S,3Z,5S)-3-[(2Z)-2-[(1R,3As,7Ar)-1-[(1R)-5-Hydroxy-1,5-Dimethyl-Hexyl]-7A-Methyl-2,3,3A,5,6,7-Hexahydro-1H-Inden-4-Ylidene]Ethylidene]-5-Hydroxy-4-Methylene-Cyclohexyl] 2-(4-Azido-2-Nitro-Anilino)Acetate

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Formula C35H50N5O6
IUPAC Name [(1s,3z,5s)-3-[(2z)-2-[(1r,3as,7ar)-1-[(1r)-5-hydroxy-1,5-dimethyl-hexyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-5-hydroxy-4-methylene-cyclohexyl] 2-(4-azido-2-nitro-anilino)acetate
Molecular Mass 636.801 g·mol−1
Heat of Formation -522.7 ± 16.7 kJ·mol−1
Dipole Moment 6.85 ± 1.08 D
Volume 799.69 Å 3
Surface Area 564.61 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -1.38 ± eV
Point Group Symmetry C1
InChIKey XHIBBFMFNVIAEN-SWXZBLPUSA-N
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