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Formula C18H20O2
IUPAC Name (8s,13s,14s)-13-methyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione
Molecular Mass 268.350 g·mol−1
Heat of Formation -238.5 ± 16.7 kJ·mol−1
Dipole Moment 4.35 ± 1.08 D
Volume 330.25 Å 3
Surface Area 282.2 Å 2
HOMO Energy -9.01 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,13s,14s)-13-methyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione
  • (8s,13s,14s)-13-methyl-1,2,6,7,8,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-quinone
  • estra-4,9,11-triene-3,17-dione
CAS Number(s)
  • 4642-95-9
InChIKey KBSXJBBFQODDTQ-RYRKJORJSA-N
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