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PARATOCARPIN-C
SpectraBase Compound ID 8qGX7NyRBT2
InChI InChI=1S/C25H26O4/c1-16(2)5-8-19-22(27)11-9-20(24(19)28)21(26)10-6-17-7-12-23-18(15-17)13-14-25(3,4)29-23/h5-7,9-15,27-28H,8H2,1-4H3/b10-6+
InChIKey RJZJSZWLTLYSAY-UXBLZVDNSA-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 LBDHHjZuNyw
Name (E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-(2,2-dimethyl-1-benzopyran-6-yl)-2-propen-1-one
Alternate Name(s) (E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-(2,2-dimethylchromen-6-yl)prop-2-en-1-one (E)-3-(2,2-dimethylchromen-6-yl)-1-[3-(3-methylbut-2-enyl)-2,4-bis(oxidanyl)phenyl]prop-2-en-1-one
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Formula C25H26O4
InChI InChI=1S/C25H26O4/c1-16(2)5-8-19-22(27)11-9-20(24(19)28)21(26)10-6-17-7-12-23-18(15-17)13-14-25(3,4)29-23/h5-7,9-15,27-28H,8H2,1-4H3/b10-6+
InChIKey RJZJSZWLTLYSAY-UXBLZVDNSA-N
Molecular Weight 390.479 g/mol
SMILES Oc1ccc(c(c1CC=C(C)C)O)C(\C=C\c1cc2C=CC(Oc2cc1)(C)C)=O
SPLASH splash10-004i-0109000000-3f970eac83111d1d18ac
Source of Spectrum H1-41-197-3
Wiley ID 757045