Equilin

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Properties Simple | Detailed

Formula C18H20O2
IUPAC Name (9s,13s,14s)-3-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-6h-cyclopenta[a]phenanthren-17-one
Molecular Mass 268.350 g·mol−1
Heat of Formation -288.7 ± 16.7 kJ·mol−1
Dipole Moment 3.54 ± 1.08 D
Volume 330.72 Å 3
Surface Area 281.26 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy 0.06 ± eV
Point Group Symmetry C1
Synonyms
  • (9s,13s,14s)-3-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-6h-cyclopenta[a]phenanthren-17-one
  • 1,3,5,7-estratetraen-3-ol-17-one
  • 3-hydroxy-estra-1,3,5(10),7tetraen-17-one
  • 3-hydroxyestra-1,3,5(10),7-tetraen-17-one
  • 7-dehydroestrone
  • bpbio1_000923
  • d04041
  • dihydroequilenin
  • eqi
  • equilin (usp)
  • equilin; 7-dehydroestrone; 3-hydroxy-1,3,5(10),7-estratetraen-17-one; 1,3,5(10),7-estratetraen-3-ol-17-one
  • lmst02010026
  • s00287
CAS Number(s)
  • 474-86-2
InChIKey WKRLQDKEXYKHJB-HFTRVMKXSA-N
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