3,4,15-Trihydroxypregn-20-En-2-Yl Hydrogen Sulfate

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Formula C21H34O7S
IUPAC Name [(2s,3r,4r,5r,8r,9s,10r,13r,14s,15r,17r)-3,4,15-trihydroxy-10,13-dimethyl-17-vinyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-2-yl] hydrogen sulfate
Molecular Mass 430.555 g·mol−1
Heat of Formation -1401.0 ± 16.7 kJ·mol−1
Dipole Moment 3.02 ± 1.08 D
Volume 502.02 Å 3
Surface Area 382.32 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
InChIKey KFOPOXHOEMKJHW-NCHXZLGNSA-N
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