Estrone, 2-Methoxy-

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Properties Simple | Detailed

Formula C19H24O3
IUPAC Name (8r,9s,13s,14s)-3-hydroxy-2-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 -521.1 ± 16.7 kJ·mol−1
Dipole Moment 4.76 ± 1.08 D
Volume 368.85 Å 3
Surface Area 310.82 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy 0.14 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s)-3-hydroxy-2-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-one
  • 2,3-dihydroxy-1,3,5(10)-estratrien-17-one 2-methyl ether
  • 2-hydroxyestrone 2-methyl ether
  • 2-methoxy,3-hydroxy-estra-1,3,5(10)-trien-17-one
  • 2-methoxy-17-oxoestra-1,3,5(10)-trien-3-ol
  • 2-methoxy-3-hydroxyestra-1,3,5(10)-trien-17-one
  • 2-methoxyestrone
  • 3-hydroxy-2-methoxy-1,3,5(10)-estratrien-17-one
  • 3=hydroxy-2-methoxyestra-1,3,5(10)-trien-17-one
  • estra-1,3,5(10)-trien-17-one, 3-hydroxy-2-methoxy-
  • gss 33
  • lmst02010033
CAS Number(s)
  • 362-08-3
InChIKey WHEUWNKSCXYKBU-QPWUGHHJSA-N
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