16-Methylene-Estrone

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Formula C19H22O2
IUPAC Name (8r,9s,13s,14s)-3-hydroxy-13-methyl-16-methylene-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
Molecular Mass 282.377 g·mol−1
Heat of Formation -281.6 ± 16.7 kJ·mol−1
Dipole Moment 3.97 ± 1.08 D
Volume 353.5 Å 3
Surface Area 298.09 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.04 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s)-3-hydroxy-13-methyl-16-methylene-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
  • (8r,9s,13s,14s)-3-hydroxy-13-methyl-16-methylidene-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
  • 16-methylene estrone
  • 3-hydroxy-16-methyleneestra-1,3,5(10)-triene-17-one
  • estra-1,3,5(10)-trien-17-one, 3-hydroxy-16-methylene-
CAS Number(s)
  • 10506-73-7
InChIKey DQCXOXIHZXIICM-VXNCWWDNSA-N
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