(17β)-3,17-Dihydroxyestra-1,3,5(10)-Trien-6-One

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Properties Simple | Detailed

Formula C18H22O3
IUPAC Name (8r,9s,13s,14s,17s)-3,17-dihydroxy-13-methyl-8,9,11,12,14,15,16,17-octahydro-7h-cyclopenta[a]phenanthren-6-one
Molecular Mass 286.365 g·mol−1
Heat of Formation -533.1 ± 16.7 kJ·mol−1
Dipole Moment 4.09 ± 1.08 D
Volume 350.0 Å 3
Surface Area 292.41 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s,17s)-3,17-dihydroxy-13-methyl-8,9,11,12,14,15,16,17-octahydro-7h-cyclopenta[a]phenanthren-6-one
  • 6-ketoestradiol
  • 6-oxoestradiol
  • estra-1,3,5(10)-trien-6-one, 3,17-dihydroxy-, (17beta)- (9ci)
CAS Number(s)
  • 571-92-6
InChIKey ZHTDDOWJIRXOMA-YVEZLPLXSA-N
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