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ScientificNameLabel
17-alpha-Estradiol
PHCD compound ID : 4453
Chemical Names :
17-alpha-Estradiol
Molecular Formula : C18H24O2
Molecular Weight : 272.17763
More Details :
Names & Synonyms: (8R,9S,13S,14S,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Smiles: Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@H]2O)C
InChi : InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17-,18+/m1/s1
InChi Key : InChIKey=VOXZDWNPVJITMN-SFFUCWETSA-N
PubChem ID : 68570
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.817525
Hydrogen bond donor count : 2 Electric dipole moment : 3.012
XLogP : 3.472 VDW volume : 269.229424
Molecular weight : 272.17763 HOMO-LUMO gap : 9.002000
Herb list :
Refrences & Litretures:
  
658.      Journal:'Journal of Ethnopharmacology'      Year:'2007'      Volume:'109'      Page:'177'      DOI:'10.1016/j.jep.2006.09.006'      Title:'Punica granatum (pomegranate) and its potential for prevention and treatment of in?ammation and cancer'
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