[(8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-17-Yl] N-Ethynylcarbamate

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Formula C22H29NO3
IUPAC Name [(8r,9s,10r,13s,14s,17s)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] n-ethynylcarbamate
Molecular Mass 355.471 g·mol−1
Heat of Formation -378.6 ± 16.7 kJ·mol−1
Dipole Moment 5.26 ± 1.08 D
Volume 436.55 Å 3
Surface Area 356.01 Å 2
HOMO Energy -9.65 ± 0.55 eV
LUMO Energy -0.03 ± eV
Point Group Symmetry C1
InChIKey QGEXRNJDWKCAFI-BLQWBTBKSA-N
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