5-[(3S,5S,9R,10S,12R,13R,14R,17R)-12-(3-Carboxy-2-Methylpropyl)-3,8,12,14,17-Pentahydroxy-10,13-Dimethylhexadecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-5-Hydroxy-3-Methylhexanoic Acid (Non-Preferred Name)

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Formula C31H52O10
IUPAC Name (3r,5s)-5-[(3s,5s,8r,9r,10s,12r,13r,14r,17r)-12-[(2s)-3-carboxy-2-methyl-propyl]-3,8,12,14,17-pentahydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-3-methyl-hexanoic acid
Molecular Mass 584.739 g·mol−1
Heat of Formation -2254.8 ± 16.7 kJ·mol−1
Dipole Moment 4.43 ± 1.08 D
Volume 701.24 Å 3
Surface Area 505.41 Å 2
HOMO Energy -10.09 ± 0.55 eV
LUMO Energy 0.81 ± eV
Point Group Symmetry C1
InChIKey OTZYYNTXVLTKKL-DLKBSWLXSA-N
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