(17β)-17-Hydroxyestra-1,3,5(10)-Triene-3,4-Diyl Dibenzoate

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Properties Simple | Detailed

Formula C32H32O5
IUPAC Name [(8r,9r,13s,14r,17r)-4-benzoyloxy-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate
Molecular Mass 496.593 g·mol−1
Heat of Formation -670.2 ± 16.7 kJ·mol−1
Dipole Moment 4.30 ± 1.08 D
Volume 588.35 Å 3
Surface Area 434.92 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 2.39 ± eV
Point Group Symmetry C1
InChIKey QDVOPEJPVDIRMO-CFAQUOBMSA-N
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