(3α,5Beta,12α)-3,12-Dihydroxy-7-Methylcholan-24-Oic Acid

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Formula C25H42O4
IUPAC Name (4r)-4-[(3r,5r,7r,8r,9s,10s,12s,13r,14s,17r)-3,12-dihydroxy-7,10,13-trimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanoic acid
Molecular Mass 406.599 g·mol−1
Heat of Formation -1091.8 ± 16.7 kJ·mol−1
Dipole Moment 4.42 ± 1.08 D
Volume 527.92 Å 3
Surface Area 395.67 Å 2
HOMO Energy -10.07 ± 0.55 eV
LUMO Energy 1.08 ± eV
Point Group Symmetry C1
InChIKey UTDFMMXQANBWNX-VGSURXLUSA-N
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