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SESTERTERPENE-TETRAONIC-ACID
SpectraBase Compound ID DdLr5p5QKjZ
InChI InChI=1S/C25H36O4/c1-18(8-5-9-19(2)11-7-13-22-14-15-28-17-22)10-6-12-20(3)16-23-24(26)21(4)25(27)29-23/h6,10,12,14-15,17,19-20,23,26H,5,7-9,11,13,16H2,1-4H3/b12-6+,18-10+
InChIKey JIGKBJFCEWMJSB-WEAPBFCHSA-N
Mol Weight 400.6 g/mol
Molecular Formula C25H36O4
Exact Mass 400.26136 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EFx6LueApX6
Name sesterterpene tetronic acid
Alternate Name(s) 5-[(3E,5E)-13-(3-furyl)-2,6,10-trimethyl-3,5-tridecadienyl]-4-hydroxy-3-methyl-2(5H)-furanone 2-[(3E,5E)-13-(3-furanyl)-2,6,10-trimethyltrideca-3,5-dienyl]-3-hydroxy-4-methyl-2H-furan-5-one 2-[(3E,5E)-13-(furan-3-yl)-2,6,10-trimethyltrideca-3,5-dienyl]-3-hydroxy-4-methyl-2H-furan-5-one 2-[(3E,5E)-13-(furan-3-yl)-2,6,10-trimethyl-trideca-3,5-dienyl]-4-methyl-3-oxidanyl-2H-furan-5-one
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Formula C25H36O4
InChI InChI=1S/C25H36O4/c1-18(8-5-9-19(2)11-7-13-22-14-15-28-17-22)10-6-12-20(3)16-23-24(26)21(4)25(27)29-23/h6,10,12,14-15,17,19-20,23,26H,5,7-9,11,13,16H2,1-4H3/b12-6+,18-10+
InChIKey JIGKBJFCEWMJSB-WEAPBFCHSA-N
Molecular Weight 400.559 g/mol
SMILES OC1=C(C(OC1CC(\C=C\C=C\(CCCC(CCCc1cocc1)C)C)C)=O)C
SPLASH splash10-0uei-9510000000-77129dddd8a6da82b495
Source of Spectrum B-48-1899-5
Wiley ID 1369596