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PARATOCARPIN-B
SpectraBase Compound ID Fo72RYHq6qO
InChI InChI=1S/C25H26O4/c1-16(2)5-8-18-15-17(6-10-21(18)26)7-11-22(27)19-9-12-23-20(24(19)28)13-14-25(3,4)29-23/h5-7,9-15,26,28H,8H2,1-4H3/b11-7+
InChIKey WRNYEZGVIHDIGH-YRNVUSSQSA-N
Mol Weight 390.48 g/mol
Molecular Formula C25H26O4
Exact Mass 390.183109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BufFVlovEy8
Name (E)-1-(2,2-dimethyl-5-oxidanyl-chromen-6-yl)-3-[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]prop-2-en-1-one
Alternate Name(s) (E)-1-(5-hydroxy-2,2-dimethyl-1-benzopyran-6-yl)-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-2-propen-1-one (E)-1-(5-hydroxy-2,2-dimethyl-chromen-6-yl)-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-one
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Formula C25H26O4
InChI InChI=1S/C25H26O4/c1-16(2)5-8-18-15-17(6-10-21(18)26)7-11-22(27)19-9-12-23-20(24(19)28)13-14-25(3,4)29-23/h5-7,9-15,26,28H,8H2,1-4H3/b11-7+
InChIKey WRNYEZGVIHDIGH-YRNVUSSQSA-N
Molecular Weight 390.479 g/mol
SMILES Oc1c(cc(\C=C\C(c2ccc3c(c2O)C=CC(O3)(C)C)=O)cc1)CC=C(C)C
SPLASH splash10-000i-0913000000-ac1026db00bf5b79a81e
Source of Spectrum H1-41-197-2
Wiley ID 757046