Estra-4,6-Diene-3,17-Dione

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Formula C18H22O2
IUPAC Name (8r,9s,10r,13s,14s)-13-methyl-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione
Molecular Mass 270.366 g·mol−1
Heat of Formation -316.7 ± 16.7 kJ·mol−1
Dipole Moment 3.57 ± 1.08 D
Volume 341.62 Å 3
Surface Area 284.79 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy -0.68 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,10r,13s,14s)-13-methyl-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione
  • (8r,9s,10r,13s,14s)-13-methyl-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-quinone
  • 4,6-estradiene-3,17-dione
CAS Number(s)
  • 13209-45-5
InChIKey GKSFRYHLOMZMFQ-QXUSFIETSA-N
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