16,17-Dihydroxyandrost-5-En-3-Yl Hydrogen Sulfate

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Formula C19H30O6S
IUPAC Name [(3r,8r,9s,10r,13s,14s,16r,17s)-16,17-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1h-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
Molecular Mass 386.503 g·mol−1
Heat of Formation -1218.8 ± 16.7 kJ·mol−1
Dipole Moment 5.41 ± 1.08 D
Volume 444.5 Å 3
Surface Area 355.5 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy -0.07 ± eV
Point Group Symmetry C1
InChIKey NEEPVBBBPFLSII-LBYBGDIDSA-N
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