17β-((1R)-1-Hydroxy-2-Propynyl)Androst-4-En-3-One

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Formula C22H30O2
IUPAC Name (8s,9s,10r,13s,14s,17s)-17-[(1r)-1-hydroxyprop-2-ynyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 326.472 g·mol−1
Heat of Formation -238.2 ± 16.7 kJ·mol−1
Dipole Moment 4.03 ± 1.08 D
Volume 424.44 Å 3
Surface Area 336.51 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy -0.01 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10r,13s,14s,17s)-17-[(1r)-1-hydroxyprop-2-ynyl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • 17-hpao
  • androst-4-en-3-one, 17-(1-hydroxy-2-propynyl)-, (17beta(r))-
CAS Number(s)
  • 72012-08-9
InChIKey IVINXMJXYQJLGF-ZXYIWLIBSA-N
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