(16β,17β)-3,17-Dihydroxyestra-1,3,5(10)-Triene-16-Carbaldehyde

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Formula C19H24O3
IUPAC Name (8r,9s,13s,14s,16s,17s)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16-carbaldehyde
Molecular Mass 300.392 g·mol−1
Heat of Formation -534.0 ± 16.7 kJ·mol−1
Dipole Moment 2.76 ± 1.08 D
Volume 368.19 Å 3
Surface Area 304.23 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy 0.14 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s,16s,17s)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16-carbaldehyde
  • (8r,9s,13s,14s,16s,17s)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-16-carboxaldehyde
  • 16-formylestradiol
CAS Number(s)
  • 150585-08-3
InChIKey GQRLRYVNRMCWPQ-IEQBIMPXSA-N
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