3-Hydroxy-2-Methoxyestra-1,3,5,7,9-Pentaen-17-One

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Properties Simple | Detailed

Formula C19H20O3
IUPAC Name (13s,14s)-3-hydroxy-2-methoxy-13-methyl-12,14,15,16-tetrahydro-11h-cyclopenta[a]phenanthren-17-one
Molecular Mass 296.360 g·mol−1
Heat of Formation -407.2 ± 16.7 kJ·mol−1
Dipole Moment 1.71 ± 1.08 D
Volume 354.15 Å 3
Surface Area 305.91 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
Synonyms
  • (13s,14s)-3-hydroxy-2-methoxy-13-methyl-12,14,15,16-tetrahydro-11h-cyclopenta[a]phenanthren-17-one
  • 2-methoxyequilenin
  • estra-1,3,5,7,9-pentaen-17-one, 3-hydroxy-2-methoxy-
CAS Number(s)
  • 116506-54-8
InChIKey QXGUZLAWXYBWSQ-KXBFYZLASA-N
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