4Q9

2-methylphenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate


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Chemical Component Summary

Name2-methylphenyl (1S,2R,4S)-5,6-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-sulfonate
Identifiers(2-methylphenyl) (4S,5R)-2,3-bis(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-ene-5-sulfonate
FormulaC25 H22 O6 S
Molecular Weight450.504
TypeNON-POLYMER
Isomeric SMILESCc1ccccc1OS(=O)(=O)[C@@H]2CC3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O
InChIInChI=1S/C25H22O6S/c1-15-4-2-3-5-20(15)31-32(28,29)22-14-21-23(16-6-10-18(26)11-7-16)24(25(22)30-21)17-8-12-19(27)13-9-17/h2-13,21-22,25-27H,14H2,1H3/t21-,22+,25+/m0/s1
InChIKeySEZQLUKRSCXGSM-SGIRGMQISA-N

Chemical Details

Formal Charge0
Atom Count54
Chiral Atom Count3
Bond Count58
Aromatic Bond Count18

Related Resource References

Resource NameReference
PubChem 118988345