(3β,7β,17Alpha)-Pregn-5-En-20-Yne-3,7,17-Triol

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Formula C21H30O3
IUPAC Name (3s,7r,8r,9s,10r,13s,14s,17r)-17-ethynyl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,7,17-triol
Molecular Mass 330.461 g·mol−1
Heat of Formation -460.0 ± 16.7 kJ·mol−1
Dipole Moment 0.52 ± 1.08 D
Volume 418.56 Å 3
Surface Area 330.53 Å 2
HOMO Energy -9.67 ± 0.55 eV
LUMO Energy 0.77 ± eV
Point Group Symmetry C1
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InChIKey JJKOQZHWYLMASZ-FJWDNACWSA-N
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