ESZ

(14beta,16alpha,17alpha)-16-bromoestra-1,3,5(10)-triene-3,17-diol


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Chemical Component Summary

Name(14beta,16alpha,17alpha)-16-bromoestra-1,3,5(10)-triene-3,17-diol
Identifiers(8R,9S,13S,14S,16R,17R)-16-bromanyl-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
FormulaC18 H23 Br O2
Molecular Weight351.278
TypeNON-POLYMER
Isomeric SMILESC[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@@H]2O)Br)O
InChIInChI=1S/C18H23BrO2/c1-18-7-6-13-12-5-3-11(20)8-10(12)2-4-14(13)15(18)9-16(19)17(18)21/h3,5,8,13-17,20-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1
InChIKeyICCJJRSEGGYXMX-ZXXIGWHRSA-N

Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count6
Bond Count47
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 66401
ChEMBL CHEMBL1627335
ChEBI CHEBI:34171