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Paratocarpin I

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Paratocarpin I
SpectraBase Compound ID FNdiSH2QAaC
InChI InChI=1S/C25H26O5/c1-14(2)5-6-15-11-16(7-8-18(15)26)20-12-19(27)23-22(29-20)13-21-17(24(23)28)9-10-25(3,4)30-21/h5,7-11,13,20,26,28H,6,12H2,1-4H3
InChIKey PUUPPHKALYHDRS-UHFFFAOYSA-N
Mol Weight 406.48 g/mol
Molecular Formula C25H26O5
Exact Mass 406.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JnwQZoAAfkl
Name Paratocarpin I
Alternate Name(s) 2,2-Dimethyl-8-[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]-5-oxidanyl-7,8-dihydropyrano[3,2-g]chromen-6-one 5-Hydroxy-8-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one 5-Hydroxy-8-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-2,2-dimethyl-7,8-dihydropyrano[3,2-g][1]benzopyran-6-one
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Formula C25H26O5
InChI InChI=1S/C25H26O5/c1-14(2)5-6-15-11-16(7-8-18(15)26)20-12-19(27)23-22(29-20)13-21-17(24(23)28)9-10-25(3,4)30-21/h5,7-11,13,20,26,28H,6,12H2,1-4H3
InChIKey PUUPPHKALYHDRS-UHFFFAOYSA-N
Molecular Weight 406.478 g/mol
SMILES Oc1c(cc(C2Oc3c(c(c4C=CC(Oc4c3)(C)C)O)C(C2)=O)cc1)CC=C(C)C
SPLASH splash10-0f76-0469100000-8da2a1cb28dbd99961a9
Source of Spectrum H1-41-2323-4
Wiley ID 757413