(5Xi,8Xi,9Xi,10Xi,13Xi,14Xi,17Xi)-11-Hydroxy-3,18-Dioxopregnan-21-Yl Hydrogen Sulfate

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Formula C21H32O7S
IUPAC Name 2-[(5s,8s,9s,10s,11s,13r,14s,17r)-13-formyl-11-hydroxy-10-methyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethyl hydrogen sulfate
Molecular Mass 428.540 g·mol−1
Heat of Formation -1367.5 ± 16.7 kJ·mol−1
Dipole Moment 4.97 ± 1.08 D
Volume 494.13 Å 3
Surface Area 395.71 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
InChIKey HVANFPMHKAMILB-QGGNXYJTSA-N
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