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PARATOCARPIN-D
SpectraBase Compound ID BaPqxjXHuw1
InChI InChI=1S/C25H28O5/c1-15(2)5-8-19-23(28)12-9-20(25(19)30)22(27)11-7-17-6-10-21(26)18(13-17)14-24(29)16(3)4/h5-7,9-13,24,26,28-30H,3,8,14H2,1-2,4H3/b11-7+
InChIKey LHXAMRZXSXXVSB-YRNVUSSQSA-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 lGnuL4zIXL
Name (E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-[4-hydroxy-3-(2-hydroxy-3-methyl-but-3-enyl)phenyl]prop-2-en-1-one
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Formula C25H28O5
InChI InChI=1S/C25H28O5/c1-15(2)5-8-19-23(28)12-9-20(25(19)30)22(27)11-7-17-6-10-21(26)18(13-17)14-24(29)16(3)4/h5-7,9-13,24,26,28-30H,3,8,14H2,1-2,4H3/b11-7+
InChIKey LHXAMRZXSXXVSB-YRNVUSSQSA-N
Molecular Weight 408.494 g/mol
SMILES Oc1c(c(c(C(\C=C\c2ccc(c(c2)CC(C(=C)C)O)O)=O)cc1)O)CC=C(C)C
SPLASH splash10-000b-0955100000-8bbc39a94048872e8394
Source of Spectrum H1-41-197-4
Synonyms (E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-[4-hydroxy-3-(2-hydroxy-3-methylbut-3-enyl)phenyl]-2-propen-1-one (E)-1-[3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]-3-[3-(3-methyl-2-oxidanyl-but-3-enyl)-4-oxidanyl-phenyl]prop-2-en-1-one
Wiley ID 757044