21-Hydroxy-3,20-Dioxopregn-4-En-19-Oic Acid

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Formula C21H28O5
IUPAC Name (8s,9s,10s,13r,14s,17s)-17-(2-hydroxyacetyl)-13-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-10-carboxylic acid
Molecular Mass 360.444 g·mol−1
Heat of Formation -983.4 ± 16.7 kJ·mol−1
Dipole Moment 3.58 ± 1.08 D
Volume 429.27 Å 3
Surface Area 341.36 Å 2
HOMO Energy -10.00 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
InChIKey RUPOMAOZPOVHQZ-KPARWEMLSA-N
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Elements H C O