7-Oxolithocholic Acid

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Formula C24H38O4
IUPAC Name (4s)-4-[(3r,5s,8r,9s,10s,13r,14s,17r)-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
Molecular Mass 390.556 g·mol−1
Heat of Formation -1026.4 ± 16.7 kJ·mol−1
Dipole Moment 3.04 ± 1.08 D
Volume 502.57 Å 3
Surface Area 389.25 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy 0.93 ± eV
Point Group Symmetry C1
InChIKey DXOCDBGWDZAYRQ-PNODWVJFSA-N
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Elements H C O