17,20,21-Trihydroxypregna-1,4-Diene-3,11-Dione

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Formula C21H28O5
IUPAC Name (8s,9s,10r,13s,14s,17r)-17-[(1r)-1,2-dihydroxyethyl]-17-hydroxy-10,13-dimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione
Molecular Mass 360.444 g·mol−1
Heat of Formation -901.8 ± 16.7 kJ·mol−1
Dipole Moment 5.23 ± 1.08 D
Volume 432.17 Å 3
Surface Area 338.74 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy 2.53 ± eV
Point Group Symmetry C1
InChIKey UMAIDVARGWSZLM-GNIMZFFESA-N
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Elements H C O