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SOPHORADIONE;2,4,2',4'-TETRAHYDROXY-3-LAVANDULYL-6-METHOXYBENZIL
SpectraBase Compound ID JoOxBu5FzBc
InChI InChI=1S/C25H28O7/c1-13(2)6-7-15(14(3)4)10-18-20(28)12-21(32-5)22(23(18)29)25(31)24(30)17-9-8-16(26)11-19(17)27/h6,8-9,11-12,15,26-29H,3,7,10H2,1-2,4-5H3
InChIKey NYHVTLRKAYFBIT-UHFFFAOYSA-N
Mol Weight 440.49 g/mol
Molecular Formula C25H28O7
Exact Mass 440.183503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BXlnYdQiqJx
Name Sophoradione
Alternate Name(s) 1-[2,4-dihydroxy-6-methoxy-3-[5-methyl-2-(1-methylethenyl)hex-4-enyl]phenyl]-2-(2,4-dihydroxyphenyl)ethane-1,2-dione 1-[2,4-dihydroxy-6-methoxy-3-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)phenyl]-2-(2,4-dihydroxyphenyl)ethane-1,2-dione 1-[2,4-bis(oxidanyl)phenyl]-2-[6-methoxy-3-(5-methyl-2-prop-1-en-2-yl-hex-4-enyl)-2,4-bis(oxidanyl)phenyl]ethane-1,2-dione
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Formula C25H28O7
InChI InChI=1S/C25H28O7/c1-13(2)6-7-15(14(3)4)10-18-20(28)12-21(32-5)22(23(18)29)25(31)24(30)17-9-8-16(26)11-19(17)27/h6,8-9,11-12,15,26-29H,3,7,10H2,1-2,4-5H3
InChIKey NYHVTLRKAYFBIT-UHFFFAOYSA-N
Molecular Weight 440.492 g/mol
SMILES Oc1cc(c(C(C(c2c(c(c(cc2OC)O)CC(C(=C)C)CC=C(C)C)O)=O)=O)cc1)O
SPLASH splash10-0udi-0914000000-c7bedca32def32517ab1
Source of Spectrum G4-69-1239-6
Wiley ID 1694487