PWZ

(5E)-7-{(1R,4S,5S,6R)-5-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-6-yl}hept-5-enoic acid


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Chemical Component Summary

Name(5E)-7-{(1R,4S,5S,6R)-5-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-6-yl}hept-5-enoic acid
Identifiers(E)-7-[(1S,2S,3R,4R)-2-[(E,3S)-3-oxidanyloct-1-enyl]-5-oxabicyclo[2.2.1]heptan-3-yl]hept-5-enoic acid
FormulaC21 H34 O4
Molecular Weight350.492
TypeNON-POLYMER
Isomeric SMILESCCCCC[C@@H](/C=C/[C@H]1[C@@H]2C[C@H]([C@@H]1C/C=C/CCCC(=O)O)OC2)O
InChIInChI=1S/C21H34O4/c1-2-3-6-9-17(22)12-13-18-16-14-20(25-15-16)19(18)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4+,13-12+/t16-,17+,18+,19-,20-/m1/s1
InChIKeyDJKDIKIDYDXHDD-JVCJGEKZSA-N

Chemical Details

Formal Charge0
Atom Count59
Chiral Atom Count5
Bond Count60
Aromatic Bond Count0

Related Resource References

Resource NameReference
PubChem 95065593