3-Hydroxyestra-1,3,5(10),8-Tetraen-17-One

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Properties Simple | Detailed

Formula C18H20O2
IUPAC Name (13s,14s)-3-hydroxy-13-methyl-7,11,12,14,15,16-hexahydro-6h-cyclopenta[a]phenanthren-17-one
Molecular Mass 268.350 g·mol−1
Heat of Formation -299.2 ± 16.7 kJ·mol−1
Dipole Moment 3.92 ± 1.08 D
Volume 330.43 Å 3
Surface Area 282.25 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy -0.07 ± eV
Point Group Symmetry C1
Synonyms
  • (+-)-3-hydroxyestra-1,3,5(10),8-tetraen-17-one
  • (+-)-delta8-dehydraestrone
  • (13s,14s)-3-hydroxy-13-methyl-7,11,12,14,15,16-hexahydro-6h-cyclopenta[a]phenanthren-17-one
  • estra-1,3,5(10),8-tetraen-17-one, 3-hydroxy-, (+-)-
CAS Number(s)
  • 2911-90-2
InChIKey OUGSRCWSHMWPQE-WMZOPIPTSA-N
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