3-Hydroxy-2-Methoxyestra-1(10),2,4,7-Tetraen-17-One

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Properties Simple | Detailed

Formula C19H22O3
IUPAC Name (9s,13s,14s)-3-hydroxy-2-methoxy-13-methyl-9,11,12,14,15,16-hexahydro-6h-cyclopenta[a]phenanthren-17-one
Molecular Mass 298.376 g·mol−1
Heat of Formation -436.3 ± 16.7 kJ·mol−1
Dipole Moment 4.42 ± 1.08 D
Volume 361.24 Å 3
Surface Area 307.1 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy 0.08 ± eV
Point Group Symmetry C1
Synonyms
  • (9s,13s,14s)-3-hydroxy-2-methoxy-13-methyl-9,11,12,14,15,16-hexahydro-6h-cyclopenta[a]phenanthren-17-one
  • 2-methoxyequilin
  • 3-hydroxy-2-methoxyestra-1,3,5(10),7-tetraen-17-one
  • estra-1,3,5(10),7-tetraen-17-one, 3-hydroxy-2-methoxy-
CAS Number(s)
  • 116506-46-8
InChIKey SDAPOCMGOIRGRQ-ODYMNIRHSA-N
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