(17β)-2,4-Dibromoestra-1(10),2,4-Triene-3,17-Diol

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Formula C18H22Br2O2
IUPAC Name (8r,9s,13s,14s,17s)-2,4-dibromo-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Molecular Mass 430.174 g·mol−1
Heat of Formation -368.3 ± 16.7 kJ·mol−1
Dipole Moment 3.35 ± 1.08 D
Volume 396.28 Å 3
Surface Area 328.28 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -0.44 ± eV
Point Group Symmetry C1
Synonyms
  • (8r,9s,13s,14s,17s)-2,4-dibromo-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
  • 2,4-dibromo-17-estradiol
  • 2,4-dibromo-17beta-estradiol
  • 2,4-dibromo-17beta-oestradiol
  • estra-1,3,5(10)-triene-3,17-diol, 2,4-dibromo-, (17beta)-
InChIKey UTXNYGUZJLLOSP-ZICKVNAASA-N
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Elements H C O Br