(2S)-2-[(7R,8R,9S,10R,12S,13S,14S,17R)-7,12-Dihydroxy-10,13-Dimethyl-3-Oxo-6,7,8,9,10,11,12,13,14,15,16,17-Dodecahydro-3H-Cyclopenta[A]Phenanthren-17-Yl]Propanoic Acid

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Formula C22H30O5
IUPAC Name (2r)-2-[(7r,8r,9s,10r,12s,13s,14s,17r)-7,12-dihydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]propanoic acid
Molecular Mass 374.471 g·mol−1
Heat of Formation -980.1 ± 16.7 kJ·mol−1
Dipole Moment 8.44 ± 1.08 D
Volume 453.35 Å 3
Surface Area 349.11 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy -0.46 ± eV
Point Group Symmetry C1
InChIKey RIPUUOOMDLZCBV-XSSMFVGVSA-N
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