6β-Hydroxyestr-4-Ene-3,17-Dione

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Formula C18H24O3
IUPAC Name (6r,8r,9s,10r,13s,14s)-6-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
Molecular Mass 288.381 g·mol−1
Heat of Formation -583.9 ± 16.7 kJ·mol−1
Dipole Moment 3.38 ± 1.08 D
Volume 357.35 Å 3
Surface Area 292.74 Å 2
HOMO Energy -9.97 ± 0.55 eV
LUMO Energy -0.33 ± eV
Point Group Symmetry C1
Synonyms
  • (6r,8r,9s,10r,13s,14s)-6-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione
  • (6r,8r,9s,10r,13s,14s)-6-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-quinone
  • estr-4-ene-3,17-dione, 6-hydroxy-, (6beta)-
CAS Number(s)
  • 5949-49-5
InChIKey FCGVJIQPGVYHQN-QRJTWQJVSA-N
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