3-Hydroxy-4-Methoxyestra-1,3,5(10)-Trien-17-One

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Properties Simple | Detailed

Formula C19H24O3
IUPAC Name (8r,9s,13s,14s)-3-hydroxy-4-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-one
Molecular Mass 300.392 g·mol−1
Heat of Formation -525.6 ± 16.7 kJ·mol−1
Dipole Moment 3.96 ± 1.08 D
Volume 369.87 Å 3
Surface Area 308.17 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy 0.02 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s)-3-hydroxy-4-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-one
  • 4-hydroxyestrone-4-methyl ether
  • estra-1,3,5(10)-trien-17-one, 3-hydroxy-4-methoxy-
CAS Number(s)
  • 58562-33-7
InChIKey PUEXVLNGOBYUEW-BFDPJXHCSA-N
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