Estra-1,3,5(10)-Triene-3,17-Diyl Diheptanoate

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Properties Simple | Detailed

Formula C32H48O4
IUPAC Name [(8r,9s,13s,14s,17s)-17-heptanoyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] heptanoate
Molecular Mass 496.721 g·mol−1
Heat of Formation -957.3 ± 16.7 kJ·mol−1
Dipole Moment 7.52 ± 1.08 D
Volume 661.74 Å 3
Surface Area 558.36 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -0.46 ± eV
Point Group Symmetry C1
InChIKey OVAHZPTYWMWNKO-QIXMPRIXSA-N
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