(3α,5Beta,7α)-3,7-Dihydroxycholane-24-Sulfonic Acid

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Formula C24H42O5S
IUPAC Name (4r)-4-[(3r,5s,7s,8r,9s,10s,13r,14s,17r)-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]pentane-1-sulfonate
Molecular Mass 442.652 g·mol−1
Heat of Formation 2581.9 ± 16.7 kJ·mol−1
Dipole Moment 4.32 ± 1.08 D
Volume 418.49 Å 3
Surface Area 382.41 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -2.46 ± eV
Point Group Symmetry C1
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InChIKey XTAHWZGDBTVOMU-ULQOMZCQSA-M
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