(5α,17Xi)-19-Norpregn-6-En-20-Yne-5,17-Diol

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Formula C20H28O2
IUPAC Name (5s,8r,9s,10r,13s,14s,17s)-17-ethynyl-13-methyl-1,2,3,4,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-5,17-diol
Molecular Mass 300.435 g·mol−1
Heat of Formation -245.9 ± 16.7 kJ·mol−1
Dipole Moment 2.51 ± 1.08 D
Volume 374.66 Å 3
Surface Area 296.18 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy 0.92 ± eV
Point Group Symmetry C1
InChIKey DCMJPLBXNMYNOQ-KOGWCRERSA-N
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