Methyl 11-Hydroxy-3,20-Dioxopregna-1,4-Dien-21-Oate

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Properties Simple | Detailed

Formula C22H28O5
IUPAC Name methyl 2-[(8s,9s,10r,11r,13s,14s,17s)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-acetate
Molecular Mass 372.455 g·mol−1
Heat of Formation -834.5 ± 16.7 kJ·mol−1
Dipole Moment 4.97 ± 1.08 D
Volume 451.86 Å 3
Surface Area 355.89 Å 2
HOMO Energy -9.67 ± 0.55 eV
LUMO Energy -0.27 ± eV
Point Group Symmetry C1
InChIKey JZCOBGHTAHKMBZ-KBUJZQQDSA-N
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