(7α,10Xi,17α)-17-Hydroxy-7-Methyl-19-Norpregn-4-En-20-Yn-3-One

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Formula C21H28O2
IUPAC Name (7r,8r,9s,10r,13s,14s,17s)-17-ethynyl-17-hydroxy-7,13-dimethyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 312.446 g·mol−1
Heat of Formation -239.0 ± 16.7 kJ·mol−1
Dipole Moment 5.25 ± 1.08 D
Volume 405.9 Å 3
Surface Area 324.04 Å 2
HOMO Energy -9.75 ± 0.55 eV
LUMO Energy 0.04 ± eV
Point Group Symmetry C1
InChIKey WAOKMNBZWBGYIK-QGKPBPRKSA-N
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