(2S,3α,17Beta)-(2-~3~H_1_)Estr-4-Ene-3,17-Diyl Diacetate

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Formula C22H32O4
IUPAC Name [(3s,8r,9s,10r,13s,14s,17s)-17-acetoxy-13-methyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
Molecular Mass 360.487 g·mol−1
Heat of Formation -905.0 ± 16.7 kJ·mol−1
Dipole Moment 3.74 ± 1.08 D
Volume 455.96 Å 3
Surface Area 379.54 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy 3.89 ± eV
Point Group Symmetry C1
InChIKey XAJLLTOCAVCFMD-KAKDVIIHSA-N
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Elements H C O