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SCANDENIN;4,4'-DIHYDROXY-3-PHENYL-5-METHOXY-6-(3,3-DIMETHYLALLYL)-2'',2''-DIMETHYLCHROMENE-(5'',6'':8,7)-COUMARIN
SpectraBase Compound ID cABUE9f4Hs
InChI InChI=1S/C26H26O6/c1-14(2)6-11-17-22-18(12-13-26(3,4)32-22)24-20(23(17)30-5)21(28)19(25(29)31-24)15-7-9-16(27)10-8-15/h6-10,12-13,27-28H,11H2,1-5H3
InChIKey AAKJUGSASOCUFQ-UHFFFAOYSA-N
Mol Weight 434.49 g/mol
Molecular Formula C26H26O6
Exact Mass 434.172939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7EPyuK1TAvR
Name Scandenin
CAS Registry Number 5084-00-4
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H26O6
InChI InChI=1S/C26H26O6/c1-14(2)6-11-17-22-18(12-13-26(3,4)32-22)24-20(23(17)30-5)21(28)19(25(29)31-24)15-7-9-16(27)10-8-15/h6-10,12-13,27-28H,11H2,1-5H3
InChIKey AAKJUGSASOCUFQ-UHFFFAOYSA-N
Molecular Weight 434.488 g/mol
SMILES OC1=C(c2ccc(cc2)O)C(Oc2c3C=CC(Oc3c(c(c12)OC)CC=C(C)C)(C)C)=O
SPLASH splash10-00li-0672900000-41a303846847b063d1cf
Source of Spectrum T-66-2384-0
Synonyms 4-Hydroxy-3-(4-hydroxyphenyl)-5-methoxy-8,8-dimethyl-6-(3-methyl-2-butenyl)-2H,8H-pyrano[2,3-f]chromen-2-one 2H,8H-Benzo[1,2-b:3,4-b']dipyran-2-one, 4-hydroxy-3-(4-hydroxyphenyl)-5-methoxy-8,8-dimethyl-6-(3-methyl-2-butenyl)- 2H,8H-Benzo[1,2-b:3,4-b']dipyran-2-one, 4-hydroxy-3-(p-hydroxyphenyl)-5-methoxy-8,8-dimethyl-6-(3-methyl-2-butenyl)-
Wiley ID 59756