17A-Estriol

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Formula C18H24O3
IUPAC Name (8r,9s,13s,14s,16r,17s)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
Molecular Mass 288.381 g·mol−1
Heat of Formation -602.7 ± 16.7 kJ·mol−1
Dipole Moment 2.54 ± 1.08 D
Volume 353.49 Å 3
Surface Area 294.41 Å 2
HOMO Energy -8.93 ± 0.55 eV
LUMO Energy 0.12 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s,16r,17s)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
  • 17-epiestriol
CAS Number(s)
  • 1228-72-4
InChIKey PROQIPRRNZUXQM-PNVOZDDCSA-N
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DOI
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