17-(3-Pyridinyl)Androsta-4,16-Dien-3-One

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Formula C24H29NO
IUPAC Name (8r,9s,10r,13s,14s)-10,13-dimethyl-17-(3-pyridyl)-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
Molecular Mass 347.493 g·mol−1
Heat of Formation -57.9 ± 16.7 kJ·mol−1
Dipole Moment 4.04 ± 1.08 D
Volume 439.24 Å 3
Surface Area 350.23 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,10r,13s,14s)-10,13-dimethyl-17-(3-pyridyl)-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
  • (8r,9s,10r,13s,14s)-10,13-dimethyl-17-pyridin-3-yl-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one
  • 17-(3-pyridyl)androsta-5,16-dien-3-one
  • androsta-4,16-dien-3-one, 17-(3-pyridinyl)-
  • cb 7627
  • cb-7627
CAS Number(s)
  • 154229-21-7
InChIKey GYJZZAJJENTSTP-NHFPKVKZSA-N
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