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BRANDISIANIN_C
SpectraBase Compound ID IlWp2mj8MY7
InChI InChI=1S/C22H22O7/c1-11(2)5-6-12-15(23)8-17(25)20-21(26)14(10-29-22(12)20)13-7-19(28-4)16(24)9-18(13)27-3/h5,7-10,23-25H,6H2,1-4H3
InChIKey NIJHLDLKJBWHOF-UHFFFAOYSA-N
Mol Weight 398.41 g/mol
Molecular Formula C22H22O7
Exact Mass 398.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GJ7BFzAXrTf
Name Brandisianin C
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22O7
InChI InChI=1S/C22H22O7/c1-11(2)5-6-12-15(23)8-17(25)20-21(26)14(10-29-22(12)20)13-7-19(28-4)16(24)9-18(13)27-3/h5,7-10,23-25H,6H2,1-4H3
InChIKey NIJHLDLKJBWHOF-UHFFFAOYSA-N
Molecular Weight 398.411 g/mol
SMILES Oc1cc(c(C=2C(c3c(cc(c(c3OC2)CC=C(C)C)O)O)=O)cc1OC)OC
SPLASH splash10-0002-0009000000-15d5e388d397df9d8acf
Source of Spectrum G4-70-1913-3
Synonyms 5,7-Dihydroxy-3-(4-hydroxy-2,5-dimethoxyphenyl)-8-(3-methylbut-2-enyl)-1-benzopyran-4-one 5,7-Dihydroxy-3-(4-hydroxy-2,5-dimethoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one 5,7-Dihydroxy-3-(4-hydroxy-2,5-dimethoxy-phenyl)-8-(3-methylbut-2-enyl)chromen-4-one 3-(2,5-dimethoxy-4-oxidanyl-phenyl)-8-(3-methylbut-2-enyl)-5,7-bis(oxidanyl)chromen-4-one
Wiley ID 1694848