3-Hydroxy-4-Methoxyestra-1,3,5,7,9-Pentaen-17-One

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Properties Simple | Detailed

Formula C19H20O3
IUPAC Name (13s,14s)-3-hydroxy-4-methoxy-13-methyl-12,14,15,16-tetrahydro-11h-cyclopenta[a]phenanthren-17-one
Molecular Mass 296.360 g·mol−1
Heat of Formation -395.0 ± 16.7 kJ·mol−1
Dipole Moment 2.88 ± 1.08 D
Volume 353.11 Å 3
Surface Area 302.36 Å 2
HOMO Energy -8.16 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • (13s,14s)-3-hydroxy-4-methoxy-13-methyl-12,14,15,16-tetrahydro-11h-cyclopenta[a]phenanthren-17-one
  • 4-methoxyequilenin
  • estra-1,3,5,7,9-pentaen-17-one, 3-hydroxy-4-methoxy-
CAS Number(s)
  • 116506-50-4
InChIKey GOBGQKKPBROPRC-KXBFYZLASA-N
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