4-Azido-N-[(3R,5R,7R,8R,9S,10S,12S,13R,14R,17R)-3,12-Dihydroxy-10,13-Dimethyl-17-[(1R)-1-Methyl-4-Oxo-4-(2-Sulfoethylamino)Butyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-7-Yl]Benzamide

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Formula C33H52N5O7S
IUPAC Name 4-azido-n-[(3r,5r,7r,8r,9s,10s,12s,13r,14r,17r)-3,12-dihydroxy-10,13-dimethyl-17-[(1r)-1-methyl-4-oxo-4-(2-sulfoethylamino)butyl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-7-yl]benzamide
Molecular Mass 662.860 g·mol−1
Heat of Formation -1203.6 ± 16.7 kJ·mol−1
Dipole Moment 5.67 ± 1.08 D
Volume 786.96 Å 3
Surface Area 554.86 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
InChIKey YMBLGZSABSKJFQ-GJGGFARKSA-N
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