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Dehydroluffariellolide diacid
SpectraBase Compound ID KPo4dvrBido
InChI InChI=1S/C25H38O4/c1-18(11-7-13-21(24(28)29)17-23(26)27)9-6-10-19(2)14-15-22-20(3)12-8-16-25(22,4)5/h10-11,17H,6-9,12-16H2,1-5H3,(H,26,27)(H,28,29)/b18-11+,19-10+,21-17-
InChIKey UJEAOVLENYNVEU-SDMOIDSSSA-N
Mol Weight 402.6 g/mol
Molecular Formula C25H38O4
Exact Mass 402.27701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6PVWiwOlt5w
Name Dehydroluffariellolide diacid
Alternate Name(s) (Z)-2-[(3E,7E)-4,8-dimethyl-10-(2,6,6-trimethyl-1-cyclohexenyl)deca-3,7-dienyl]-2-butenedioic acid (Z)-2-[(3E,7E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-3,7-dienyl]but-2-enedioic acid
CAS Registry Number 132911-46-7
Comments Less than 3 mono-isotopic peaks
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Formula C25H38O4
InChI InChI=1S/C25H38O4/c1-18(11-7-13-21(24(28)29)17-23(26)27)9-6-10-19(2)14-15-22-20(3)12-8-16-25(22,4)5/h10-11,17H,6-9,12-16H2,1-5H3,(H,26,27)(H,28,29)/b18-11+,19-10+,21-17-
InChIKey UJEAOVLENYNVEU-SDMOIDSSSA-N
Molecular Weight 402.575 g/mol
SMILES OC(\C=C/(C(O)=O)CC\C=C/(C)CC\C=C/(C)CCC1=C(C)CCCC1(C)C)=O
SPLASH splash10-000i-0903000000-feb6e03695d491ab23d3
Source of Spectrum J-56-3408-2
Wiley ID 1370569