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Paratocarpin H
SpectraBase Compound ID C0AwaYK4zIZ
InChI InChI=1S/C25H26O5/c1-14(2)5-7-17-18(26)12-22-23(24(17)28)19(27)13-21(29-22)15-6-8-20-16(11-15)9-10-25(3,4)30-20/h5-6,8-12,21,26,28H,7,13H2,1-4H3
InChIKey KIUWIMKWIXAROQ-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 JJVgdZzNY
Name Paratocarpin H
Alternate Name(s) 2-(2,2-dimethyl-1-benzopyran-6-yl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-1-benzopyran-4-one 2-(2,2-dimethylchromen-6-yl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one 2-(2,2-dimethylchromen-6-yl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chroman-4-one 2-(2,2-dimethylchromen-6-yl)-6-(3-methylbut-2-enyl)-5,7-bis(oxidanyl)-2,3-dihydrochromen-4-one
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Formula C25H26O5
InChI InChI=1S/C25H26O5/c1-14(2)5-7-17-18(26)12-22-23(24(17)28)19(27)13-21(29-22)15-6-8-20-16(11-15)9-10-25(3,4)30-20/h5-6,8-12,21,26,28H,7,13H2,1-4H3
InChIKey KIUWIMKWIXAROQ-UHFFFAOYSA-N
Molecular Weight 406.478 g/mol
SMILES Oc1cc2c(c(c1CC=C(C)C)O)C(CC(O2)c1cc2C=CC(Oc2cc1)(C)C)=O
SPLASH splash10-0596-0619300000-220459c3542732330007
Source of Spectrum H1-41-2323-3
Wiley ID 757414