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22-O-METHYL-VARIABILIN
SpectraBase Compound ID EBq2DBHbWGm
InChI InChI=1S/C26H36O4/c1-19(9-6-10-20(2)12-8-14-23-15-16-29-18-23)11-7-13-21(3)17-24-25(28-5)22(4)26(27)30-24/h9,12,15-18,21H,6-8,10-11,13-14H2,1-5H3/b19-9+,20-12+,24-17-
InChIKey BIHGKHBYUFVWCB-GPSJNIGLSA-N
Mol Weight 412.6 g/mol
Molecular Formula C26H36O4
Exact Mass 412.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 59tnz2LnNI
Name (7E,12E,18S,20Z)-22-O-methyl-variabilin
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H36O4
InChI InChI=1S/C26H36O4/c1-19(9-6-10-20(2)12-8-14-23-15-16-29-18-23)11-7-13-21(3)17-24-25(28-5)22(4)26(27)30-24/h9,12,15-18,21H,6-8,10-11,13-14H2,1-5H3/b19-9+,20-12+,24-17-
InChIKey BIHGKHBYUFVWCB-GPSJNIGLSA-N
Molecular Weight 412.570 g/mol
SMILES C=1(C(O\C(C1OC)=C\C(CCC\C(=C\CC\C(=C\CCc1cocc1)C)C)C)=O)C
SPLASH splash10-00s9-1900100000-48a403d032bb093a362f
Source of Spectrum G4-60-835-6
Synonyms 22-O-Methylvariabilin (5Z)-5-[(6E,10E)-13-(3-furanyl)-2,6,10-trimethyltrideca-6,10-dienylidene]-4-methoxy-3-methyl-2-furanone (5Z)-5-[(6E,10E)-13-(3-furyl)-2,6,10-trimethyl-trideca-6,10-dienylidene]-4-methoxy-3-methyl-furan-2-one (5Z)-5-[(6E,10E)-13-(furan-3-yl)-2,6,10-trimethyltrideca-6,10-dienylidene]-4-methoxy-3-methylfuran-2-one (5Z)-5-[(6E,10E)-13-(furan-3-yl)-2,6,10-trimethyl-trideca-6,10-dienylidene]-4-methoxy-3-methyl-furan-2-one
Wiley ID 1606776