17-Oxoestra-1,3,5(10)-Triene-3,16-Diyl Diacetate

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Properties Simple | Detailed

Formula C22H26O5
IUPAC Name [(8s,9s,13s,14r,16s)-16-acetoxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-3-yl] acetate
Molecular Mass 370.439 g·mol−1
Heat of Formation -923.9 ± 16.7 kJ·mol−1
Dipole Moment 4.04 ± 1.08 D
Volume 443.13 Å 3
Surface Area 378.58 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -0.18 ± eV
Point Group Symmetry C1
InChIKey QZQSENRWYLQIPC-JRHPMUGDSA-N
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