3-Keto-Org 2969

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Formula C22H28O2
IUPAC Name (8s,9s,10r,13s,14s,17r)-13-ethyl-17-ethynyl-17-hydroxy-11-methylene-2,6,7,8,9,10,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
Molecular Mass 324.457 g·mol−1
Heat of Formation -146.4 ± 16.7 kJ·mol−1
Dipole Moment 3.69 ± 1.08 D
Volume 375.97 Å 3
Surface Area 289.16 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy -0.03 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,10r,13s,14s,17r)-13-ethyl-17-ethynyl-17-hydroxy-11-methylene-2,6,7,8,9,10,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • (8s,9s,10r,13s,14s,17r)-13-ethyl-17-ethynyl-17-hydroxy-11-methylidene-2,6,7,8,9,10,12,14,15,16-decahydro-1h-cyclopenta[a]phenanthren-3-one
  • d04104
  • etonogestrel
  • etonogestrel (usan/inn)
  • org-3236
InChIKey GCKFUYQCUCGESZ-BPIQYHPVSA-N
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