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Mappain
SpectraBase Compound ID 9iRE1he6HX6
InChI InChI=1S/C29H36O4/c1-19(2)7-6-8-21(5)10-13-24-15-22(18-28(32)29(24)33)11-12-23-16-26(30)25(27(31)17-23)14-9-20(3)4/h7,9-12,15-18,30-33H,6,8,13-14H2,1-5H3/b12-11+,21-10+
InChIKey GJZKDVGLDGLPMB-ZVBRSKEYSA-N
Mol Weight 448.6 g/mol
Molecular Formula C29H36O4
Exact Mass 448.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F4EOkSFVvOF
Name Mappain
Alternate Name(s) 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-[(E)-2-[4-(3-methylbut-2-enyl)-3,5-bis(oxidanyl)phenyl]ethenyl]benzene-1,2-diol 5-[(E)-2-[3,5-dihydroxy-4-(3-methylbut-2-enyl)phenyl]ethenyl]-3-[(2E)-3,7-dimethylocta-2,6-dienyl]benzene-1,2-diol 5-[(E)-2-[3,5-dihydroxy-4-(3-methylbut-2-enyl)phenyl]vinyl]-3-[(2E)-3,7-dimethylocta-2,6-dienyl]benzene-1,2-diol 5-[(E)-2-[3,5-dihydroxy-4-(3-methylbut-2-enyl)phenyl]vinyl]-3-[(2E)-3,7-dimethylocta-2,6-dienyl]pyrocatechol
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Formula C29H36O4
InChI InChI=1S/C29H36O4/c1-19(2)7-6-8-21(5)10-13-24-15-22(18-28(32)29(24)33)11-12-23-16-26(30)25(27(31)17-23)14-9-20(3)4/h7,9-12,15-18,30-33H,6,8,13-14H2,1-5H3/b12-11+,21-10+
InChIKey GJZKDVGLDGLPMB-ZVBRSKEYSA-N
Molecular Weight 448.603 g/mol
SMILES Oc1c(c(cc(\C=C\c2cc(c(c(c2)O)CC=C(C)C)O)c1)C\C=C\(CCC=C(C)C)C)O
SPLASH splash10-014j-9231400000-c610fd0eb78caba652c9
Source of Spectrum G4-64-105-1
Wiley ID 1608792