(3α,5α,17α)-Pregn-20-Yne-3,17-Diol

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Formula C21H32O2
IUPAC Name (3r,5s,8r,9s,10s,13s,14s,17r)-17-ethynyl-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol
Molecular Mass 316.478 g·mol−1
Heat of Formation -371.1 ± 16.7 kJ·mol−1
Dipole Moment 1.79 ± 1.08 D
Volume 368.93 Å 3
Surface Area 280.61 Å 2
HOMO Energy -10.05 ± 0.55 eV
LUMO Energy 1.16 ± eV
Point Group Symmetry C1
InChIKey CKAXZOYFIHQCBN-JRRMKBMNSA-N
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