(17α)-Estra-1,3,5(10),11-Tetraene-3,17-Diol

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Properties Simple | Detailed

Formula C18H22O2
IUPAC Name (8s,9s,13s,14s,17r)-13-methyl-6,7,8,9,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol
Molecular Mass 270.366 g·mol−1
Heat of Formation -315.6 ± 16.7 kJ·mol−1
Dipole Moment 3.42 ± 1.08 D
Volume 337.95 Å 3
Surface Area 284.59 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy 0.16 ± eV
Point Group Symmetry C1
Synonyms
  • (8s,9s,13s,14s,17r)-13-methyl-6,7,8,9,14,15,16,17-octahydrocyclopenta[a]phenanthrene-3,17-diol
  • 1,3,5(10),11-estratetraene-3,17-alpha-diol
  • 11-dehydro-3,17alpha-estradiol
  • estra-1,3,5(10),11-tetraene-3,17-diol, (17alpha)-
CAS Number(s)
  • 4145-55-5
InChIKey YAXUWNGFJBVVRM-SFFUCWETSA-N
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