OB5

(1R,2S,4R)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide


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Chemical Component Summary

Name(1R,2S,4R)-N-ethyl-5,6-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonamide
Identifiers(1R,4R,5S)-N-ethyl-2,3-bis(4-hydroxyphenyl)-N-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hept-2-ene-5-sulfonamide
FormulaC27 H27 N O6 S
Molecular Weight493.571
TypeNON-POLYMER
Isomeric SMILESCCN(c1ccc(cc1)OC)S(=O)(=O)[C@H]2C[C@@H]3C(=C([C@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O
InChIInChI=1S/C27H27NO6S/c1-3-28(19-8-14-22(33-2)15-9-19)35(31,32)24-16-23-25(17-4-10-20(29)11-5-17)26(27(24)34-23)18-6-12-21(30)13-7-18/h4-15,23-24,27,29-30H,3,16H2,1-2H3/t23-,24+,27+/m1/s1
InChIKeyDGXXRQNAGODTPD-DXBVXKBHSA-N

Chemical Details

Formal Charge0
Atom Count62
Chiral Atom Count3
Bond Count66
Aromatic Bond Count18

Related Resource References

Resource NameReference
PubChem 71477400