.β.-Estradiol Diacetate

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Properties Simple | Detailed

Formula C22H28O4
IUPAC Name [(8s,9r,13s,14r,17s)-17-acetoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] acetate
Molecular Mass 356.455 g·mol−1
Heat of Formation -811.6 ± 16.7 kJ·mol−1
Dipole Moment 2.84 ± 1.08 D
Volume 436.91 Å 3
Surface Area 369.64 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 0.25 ± eV
Point Group Symmetry C1
InChIKey VQHQLBARMFAKSV-CUUWFGFTSA-N
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Elements H C O