7EB

4-bromophenyl (1S,2R,4S)-6-{4-[2-(dimethylamino)ethoxy]phenyl}-5-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate


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Chemical Component Summary

Name4-bromophenyl (1S,2R,4S)-6-{4-[2-(dimethylamino)ethoxy]phenyl}-5-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
Identifiers(4-bromophenyl) (1~{S},2~{R},4~{S})-6-[4-[2-(dimethylamino)ethoxy]phenyl]-5-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
FormulaC28 H28 Br N O6 S
Molecular Weight586.494
TypeNON-POLYMER
Isomeric SMILESCN(C)CCOc1ccc(cc1)C2=C([C@@H]3C[C@H]([C@H]2O3)S(=O)(=O)Oc4ccc(cc4)Br)c5ccc(cc5)O
InChIInChI=1S/C28H28BrNO6S/c1-30(2)15-16-34-22-11-5-19(6-12-22)27-26(18-3-9-21(31)10-4-18)24-17-25(28(27)35-24)37(32,33)36-23-13-7-20(29)8-14-23/h3-14,24-25,28,31H,15-17H2,1-2H3/t24-,25+,28+/m0/s1
InChIKeyYNKCCGVYPDHFPQ-BXTSTYNKSA-N

Chemical Details

Formal Charge0
Atom Count65
Chiral Atom Count3
Bond Count69
Aromatic Bond Count18

Related Resource References

Resource NameReference
PubChem 124081759