3,4,16-Trihydroxypregn-20-En-2-Yl Hydrogen Sulfate

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Formula C21H34O7S
IUPAC Name [(2s,3r,4r,5r,8r,9s,10r,13s,14s,16s,17r)-3,4,16-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 -1402.6 ± 16.7 kJ·mol−1
Dipole Moment 3.40 ± 1.08 D
Volume 500.47 Å 3
Surface Area 381.71 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
InChIKey PALXRPIPFWOBFC-QCNKIUQCSA-N
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