Estra-1,5(10)-Diene-3,4,17-Trione

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Formula C18H20O3
IUPAC Name (8r,9s,13s,14s)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3,4,17-trione
Molecular Mass 284.350 g·mol−1
Heat of Formation -392.5 ± 16.7 kJ·mol−1
Dipole Moment 2.87 ± 1.08 D
Volume 344.61 Å 3
Surface Area 288.2 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy -1.64 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s)-13-methyl-7,8,9,11,12,14,15,16-octahydro-6h-cyclopenta[a]phenanthrene-3,4,17-trione
  • 1,5(10)-estradiene-3,4,17-trione
  • 1,5(10)estradiene-3,14,17-trione
  • 3,4-estrone quinone
  • estrone-3,4-quinone
CAS Number(s)
  • 40551-34-6
InChIKey REMSDZFYMQQJFD-QDTBLXIISA-N
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