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8IF

Summary
Name:(Z,2R,4S)-1-(4-methoxy-5-methylidene-2-oxidanylidene-furan-3-yl)-2,4-dimethyl-dodec-6-ene-1,5-dione
Formula:C20 H28 O5
Formal charge:0
Formula weight:348.433 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.7(~{Z},2~{R},4~{S})-1-(4-methoxy-5-methylidene-2-oxidanylidene-furan-3-yl)-2,4-dimethyl-dodec-6-ene-1,5-dione

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C20H28O5/c1-6-7-8-9-10-11-16(21)13(2)12-14(3)18(22)17-19(24-5)15(4)25-20(17)23/h10-11,13-14H,4,6-9,12H2,1-3,5H3/t13-,14+/m0/s1
InChIKeyInChI1.06YWDTUXUXYXSRKL-UONOGXRCSA-N
SMILES_CANONICALCACTVS3.385CCCCC\C=C/C(=O)[C@@H](C)C[C@@H](C)C(=O)C1=C(OC)C(=C)OC1=O
SMILESCACTVS3.385CCCCCC=CC(=O)[CH](C)C[CH](C)C(=O)C1=C(OC)C(=C)OC1=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCCC/C=C\C(=O)[C@@H](C)C[C@@H](C)C(=O)C1=C(C(=C)OC1=O)OC
SMILESOpenEye OEToolkits2.0.7CCCCCC=CC(=O)C(C)CC(C)C(=O)C1=C(C(=C)OC1=O)OC

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PDB entries from 2026-03-25

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