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Paratocarpin L
SpectraBase Compound ID 3Ny4jcxQGUL
InChI InChI=1S/C25H28O5/c1-14(2)5-7-16-11-17(8-10-19(16)26)22-13-21(28)24-23(30-22)12-20(27)18(25(24)29)9-6-15(3)4/h5-6,8,10-12,22,26-27,29H,7,9,13H2,1-4H3
InChIKey WNEAAJKGMLICIY-UHFFFAOYSA-N
Mol Weight 408.49 g/mol
Molecular Formula C25H28O5
Exact Mass 408.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BIogDmeRPQ3
Name Paratocarpin L
Alternate Name(s) 5,7-Dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one 5,7-Dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-1-benzopyran-4-one 5,7-Dihydroxy-2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)chroman-4-one 6-(3-Methylbut-2-enyl)-2-[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one
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Formula C25H28O5
InChI InChI=1S/C25H28O5/c1-14(2)5-7-16-11-17(8-10-19(16)26)22-13-21(28)24-23(30-22)12-20(27)18(25(24)29)9-6-15(3)4/h5-6,8,10-12,22,26-27,29H,7,9,13H2,1-4H3
InChIKey WNEAAJKGMLICIY-UHFFFAOYSA-N
Molecular Weight 408.494 g/mol
SMILES Oc1c(cc(C2Oc3c(c(c(c(c3)O)CC=C(C)C)O)C(C2)=O)cc1)CC=C(C)C
SPLASH splash10-0a4i-0643900000-58ba546938e2a01020d6
Source of Spectrum H1-41-2324-7
Wiley ID 757410