6,7-Didehydroestrone

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Properties Simple | Detailed

Formula C18H20O2
IUPAC Name (8r,9s,13s,14s)-3-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-8h-cyclopenta[a]phenanthren-17-one
Molecular Mass 268.350 g·mol−1
Heat of Formation -273.2 ± 16.7 kJ·mol−1
Dipole Moment 3.25 ± 1.08 D
Volume 332.41 Å 3
Surface Area 281.38 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s)-3-hydroxy-13-methyl-9,11,12,14,15,16-hexahydro-8h-cyclopenta[a]phenanthren-17-one
  • .delta.6,7-estrone
  • .delta.6-estrone
  • 1,3,5(10),6-estra- tetra- en-3-ol-17-one
  • 1,3,5(10),6-estratetraen-3beta-ol-17-one
  • 1,3,5(10),6-estratetrien-3.beta.-ol-17-one
  • 3-heto
  • 3-hydroxy-1,3,5(10),6-estra- tetra- en-17-one
  • 3-hydroxyestra-1,3,5(10),6-tetraen-17-one
  • 6-dehydroestrone
  • dehydro-estrone
  • delta6,7-estrone
  • delta6-estrone
  • estra-1,3,5(10),6-tetraen-17-one, 3-hydroxy-
  • estra-1,3,5(10),6-tetraen-17-one, 3-hydroxy- (8ci)(9ci)
CAS Number(s)
  • 2208-12-0
InChIKey WTRRIQCGCGCMQA-CBZIJGRNSA-N
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