3-Methoxyestra-1,3,5(10)-Trien-17-One

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Properties Simple | Detailed

Formula C19H24O2
IUPAC Name (8r,9s,13s,14s)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-one
Molecular Mass 284.393 g·mol−1
Heat of Formation -351.7 ± 16.7 kJ·mol−1
Dipole Moment 2.63 ± 1.08 D
Volume 358.62 Å 3
Surface Area 304.18 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy 0.26 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s)-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-one
  • 3-methoxyoestra-1,3,5(10)-trien-17-one
  • estra-1,3,5(10)-trien-17-one, 3-methoxy- (8ci)(9ci)
  • estrone methyl ether
  • oestrone methyl ether
CAS Number(s)
  • 1624-62-0
InChIKey BCWWDWHFBMPLFQ-VXNCWWDNSA-N
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