19,21-Dihydroxypregn-4-Ene-3,20-Dione

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Formula C21H30O4
IUPAC Name (8s,9s,10s,13s,14r,17s)-17-(2-hydroxyacetyl)-10-(hydroxymethyl)-13-methyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 346.461 g·mol−1
Heat of Formation -773.3 ± 16.7 kJ·mol−1
Dipole Moment 7.90 ± 1.08 D
Volume 426.02 Å 3
Surface Area 338.96 Å 2
HOMO Energy -9.53 ± 0.55 eV
LUMO Energy 0.28 ± eV
Point Group Symmetry C1
InChIKey LFISWQXWWGJHBL-LMPAGSGNSA-N
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Elements H C O