21-Acetoxy-11-Hydroxy-3,20-Dioxopregna-1,4-Dien-17-Yl Valerate

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Formula C28H38O7
IUPAC Name [(2'r,8s,9r,10r,11r,13s,14s,17s)-2'-(acetoxymethyl)-11-hydroxy-10,13-dimethyl-3-oxo-spiro[7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-17,3'-oxirane]-2'-yl] pentanoate
Molecular Mass 486.597 g·mol−1
Heat of Formation -1186.9 ± 16.7 kJ·mol−1
Dipole Moment 7.67 ± 1.08 D
Volume 593.66 Å 3
Surface Area 426.58 Å 2
HOMO Energy -10.09 ± 0.55 eV
LUMO Energy 2.27 ± eV
Point Group Symmetry C1
InChIKey DGYSDXLCLKPUBR-IAGWMDFASA-N
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Elements H C O