GR2

(3E,3aR,8bS)-3-({[(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methylidene)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one


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Chemical Component Summary

Name(3E,3aR,8bS)-3-({[(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methylidene)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one
Identifiers(3E,3aR,8bS)-3-[[(2R)-4-methyl-5-oxidanylidene-2H-furan-2-yl]oxymethylidene]-4,8b-dihydro-3aH-indeno[1,2-b]furan-2-one
FormulaC17 H14 O5
Molecular Weight298.29
TypeNON-POLYMER
Isomeric SMILESCC1=C[C@@H](OC1=O)O/C=C/2\[C@H]3Cc4ccccc4[C@H]3OC2=O
InChIInChI=1S/C17H14O5/c1-9-6-14(21-16(9)18)20-8-13-12-7-10-4-2-3-5-11(10)15(12)22-17(13)19/h2-6,8,12,14-15H,7H2,1H3/b13-8+/t12-,14-,15-/m1/s1
InChIKeyXHSDUVBUZOUAOQ-WJQMYRPNSA-N

Chemical Details

Formal Charge0
Atom Count36
Chiral Atom Count3
Bond Count39
Aromatic Bond Count6

Related Resource References

Resource NameReference
PubChem 11358436
ChEMBL CHEMBL2270922
CCDC/CSD ZOSNUQ