(3β,5Alpha,20S,22E)-3-Hydroxychol-22-En-24-Oic Acid

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Formula C24H38O3
IUPAC Name (e,4r)-4-[(3s,5r,8r,9s,10s,13r,14s,17r)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pent-2-enoic acid
Molecular Mass 374.557 g·mol−1
Heat of Formation -799.3 ± 16.7 kJ·mol−1
Dipole Moment 2.32 ± 1.08 D
Volume 490.87 Å 3
Surface Area 382.77 Å 2
HOMO Energy -10.11 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
InChIKey RDDXJZKKQGXAHS-CHPONOHFSA-N
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Elements H C O