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2-(4-hydroxyphenyl)-8,8-dimethyl-6-(3-methylbut-2-enyl)-5-oxidanyl-2,3-dihydropyrano[2,3-h]chromen-4-one
SpectraBase Compound ID 65NnKfG7D11
InChI InChI=1S/C25H26O5/c1-14(2)5-10-17-22(28)21-19(27)13-20(15-6-8-16(26)9-7-15)29-24(21)18-11-12-25(3,4)30-23(17)18/h5-9,11-12,20,26,28H,10,13H2,1-4H3
InChIKey TXWYWZHIUMRYOS-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 2TOTNYZ5to
Name 2-(4-hydroxyphenyl)-8,8-dimethyl-6-(3-methylbut-2-enyl)-5-oxidanyl-2,3-dihydropyrano[2,3-h]chromen-4-one
Alternate Name(s) 5-Hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-6-(3-methylbut-2-enyl)-2,3-dihydropyrano[2,3-h]chromen-4-one 5-Hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-6-(3-methylbut-2-enyl)-2,3-dihydropyrano[2,3-h][1]benzopyran-4-one Cajaflavanone
CAS Registry Number 68236-12-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26O5
InChI InChI=1S/C25H26O5/c1-14(2)5-10-17-22(28)21-19(27)13-20(15-6-8-16(26)9-7-15)29-24(21)18-11-12-25(3,4)30-23(17)18/h5-9,11-12,20,26,28H,10,13H2,1-4H3
InChIKey TXWYWZHIUMRYOS-UHFFFAOYSA-N
Molecular Weight 406.478 g/mol
SMILES Oc1c(c2OC(C=Cc2c2c1C(CC(c1ccc(cc1)O)O2)=O)(C)C)CC=C(C)C
SPLASH splash10-052f-0049700000-d84ffad20ea251f0cca5
Source of Spectrum E1-39-3134-2
Wiley ID 1519213