(5β,7Alpha,12β)-7,12-Dihydroxy-3-Oxocholan-24-Oic Acid

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Formula C24H38O5
IUPAC Name (4r)-4-[(5r,7r,8r,9s,10s,12r,13r,14s,17r)-7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
Molecular Mass 406.556 g·mol−1
Heat of Formation -1192.4 ± 16.7 kJ·mol−1
Dipole Moment 1.15 ± 1.08 D
Volume 513.55 Å 3
Surface Area 392.74 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy 0.97 ± eV
Point Group Symmetry C1
InChIKey OEKUSRBIIZNLHZ-SNNQMBQZSA-N
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Elements H C O