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

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Properties Simple | Detailed

Formula C22H28O2
IUPAC Name (8s,9s,10r,13s,14s,17s)-10,13-dimethyl-17-prop-2-ynoyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 324.457 g·mol−1
Heat of Formation -184.9 ± 16.7 kJ·mol−1
Dipole Moment 2.59 ± 1.08 D
Volume 377.04 Å 3
Surface Area 286.2 Å 2
HOMO Energy -9.80 ± 0.55 eV
LUMO Energy -0.24 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10r,13s,14s,17s)-10,13-dimethyl-17-(1-oxoprop-2-ynyl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8s,9s,10r,13s,14s,17s)-10,13-dimethyl-17-prop-2-ynoyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • (8s,9s,10r,13s,14s,17s)-10,13-dimethyl-17-propioloyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
  • 17-opao
  • androst-4-en-3-one, 17-(1-oxo-2-propynyl)-, (17beta)-
CAS Number(s)
  • 72012-09-0
InChIKey SDRMEFNHIVGTPD-XUCMERPOSA-N
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