(3α,5Beta,7Beta,8Xi,9Xi,14Xi)-3,7-Dihydroxy-20,23-Cyclocholan-24-Oic Acid

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Formula C24H38O4
IUPAC Name (1r,2s)-2-[(3r,5s,7s,8r,9s,10s,13s,14s,17s)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]-2-methyl-cyclopropanecarboxylic acid
Molecular Mass 390.556 g·mol−1
Heat of Formation -942.9 ± 16.7 kJ·mol−1
Dipole Moment 2.19 ± 1.08 D
Volume 497.21 Å 3
Surface Area 379.51 Å 2
HOMO Energy -10.03 ± 0.55 eV
LUMO Energy 0.77 ± eV
Point Group Symmetry C1
InChIKey WLGCTZBTSBEUDJ-BWNZWDLPSA-N
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