3-Deoxyestrone

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Properties Simple | Detailed

Formula C18H22O
IUPAC Name (8r,9s,13s,14s)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-one
Molecular Mass 254.367 g·mol−1
Heat of Formation -185.5 ± 16.7 kJ·mol−1
Dipole Moment 2.97 ± 1.08 D
Volume 325.74 Å 3
Surface Area 274.91 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy 3.30 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthren-17-one
  • 3-deoxy-estrone
  • 3-deoxyoestrone
  • 3-desoxyestrone
  • adopron
  • agrestin
  • deoxyestrone
  • desoxyestrone
  • estra-1,3,5(10)-trien-17-one
  • estratrien-17-one
  • estrone, 3-deoxy-
  • oestra-1,3,5(10)-trien-17-one
CAS Number(s)
  • 53-45-2
InChIKey LGHBWDKMGOIZKH-CBZIJGRNSA-N
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