(9R)-5,8,9-Trihydroxy-5-Methyl-9-[(9R,10R,13R,17S)-2,3,14-Trihydroxy-10,13-Dimethyl-6-Oxo-2,3,4,5,6,9,10,11,12,13,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Decyl Bromoacetate (Non-Preferred Name)

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Formula C32H51BrO9
IUPAC Name (2r,3r,6r)-10-(2-bromoacetyl)oxy-2-[(2r,3r,5r,9r,10r,13r,14s,17s)-14-hydroxy-10,13-dimethyl-2,3-dioxido-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-6-methyl-decane-2,3,6-triolate
Molecular Mass 659.646 g·mol−1
Heat of Formation -1961.8 ± 16.7 kJ·mol−1
Dipole Moment 4.22 ± 1.08 D
Volume 750.73 Å 3
Surface Area 520.48 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy -0.53 ± eV
Point Group Symmetry C1
InChIKey MKOAYSNIIVISQK-JDBJTZRNSA-N
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