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(E)-17-(2-hydroxy-3,6-diketo-5-methoxy-cyclohexa-1,4-dien-1-yl)heptadec-2-enoic acid
SpectraBase Compound ID Q7RZHSImsi
InChI InChI=1S/C24H36O6/c1-30-21-18-20(25)23(28)19(24(21)29)16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-22(26)27/h15,17-18,28H,2-14,16H2,1H3,(H,26,27)/b17-15+
InChIKey DCIFWGHOSANJTJ-BMRADRMJSA-N
Mol Weight 420.5 g/mol
Molecular Formula C24H36O6
Exact Mass 420.251189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LSyB4Ab5FVG
Name (E)-17-(2-hydroxy-3,6-diketo-5-methoxy-cyclohexa-1,4-dien-1-yl)heptadec-2-enoic acid
Alternate Name(s) (E)-17-(2-hydroxy-5-methoxy-3,6-dioxo-1-cyclohexa-1,4-dienyl)-2-heptadecenoic acid (E)-17-(2-hydroxy-5-methoxy-3,6-dioxo-cyclohexa-1,4-dien-1-yl)heptadec-2-enoic acid (E)-17-[5-methoxy-2-oxidanyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]heptadec-2-enoic acid
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Formula C24H36O6
InChI InChI=1S/C24H36O6/c1-30-21-18-20(25)23(28)19(24(21)29)16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-22(26)27/h15,17-18,28H,2-14,16H2,1H3,(H,26,27)/b17-15+
InChIKey DCIFWGHOSANJTJ-BMRADRMJSA-N
Molecular Weight 420.546 g/mol
SMILES OC1=C(CCCCCCCCCCCCCC\C=C\C(=O)O)C(C(=CC1=O)OC)=O
SPLASH splash10-00xr-2902700000-a40674bed2f8ae7fc4aa
Source of Spectrum U-1997-316-2
Wiley ID 769296