3,17-Diacetoxyestra-1(10),2,4-Triene-2-Carboxylic Acid

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Formula C23H28O6
IUPAC Name (8r,9s,13s,14r,17s)-3,17-diacetoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-2-carboxylic acid
Molecular Mass 400.465 g·mol−1
Heat of Formation -1186.0 ± 16.7 kJ·mol−1
Dipole Moment 3.88 ± 1.08 D
Volume 472.79 Å 3
Surface Area 394.63 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
InChIKey AJVPDNOSAQOXAN-DKOXFKRDSA-N
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