(17Xi)-19-Norpregn-4-En-20-Yn-17-Yl Acetate

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Formula C22H30O2
IUPAC Name [(8r,9s,10r,13s,14s,17s)-17-ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1h-cyclopenta[a]phenanthren-17-yl] acetate
Molecular Mass 326.472 g·mol−1
Heat of Formation -278.6 ± 16.7 kJ·mol−1
Dipole Moment 2.14 ± 1.08 D
Volume 420.14 Å 3
Surface Area 338.01 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy 1.06 ± eV
Point Group Symmetry C1
InChIKey NCFRAPQDQZEHED-REGVOWLASA-N
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Elements H C O