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XURKRUSOPSKECO-UHFFFAOYSA-N
SpectraBase Compound ID 1QSjAmXPohv
InChI InChI=1S/C26H30O5/c1-16(2)6-12-21-23(28)22(25(29)30-5)19(13-9-17-7-10-18(27)11-8-17)20-14-15-26(3,4)31-24(20)21/h6-8,10-11,14-15,27-28H,9,12-13H2,1-5H3
InChIKey XURKRUSOPSKECO-UHFFFAOYSA-N
Mol Weight 422.52 g/mol
Molecular Formula C26H30O5
Exact Mass 422.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FU8XnWoGyMT
Name Methyl 7-hydroxy-2,2-Dimethyl-8-(3-methylbut-2-en-1-yl)-5-[2-(4-hydroxyphenyl)ethyl]-2H-chromene-6-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30O5
InChI InChI=1S/C26H30O5/c1-16(2)6-12-21-23(28)22(25(29)30-5)19(13-9-17-7-10-18(27)11-8-17)20-14-15-26(3,4)31-24(20)21/h6-8,10-11,14-15,27-28H,9,12-13H2,1-5H3
InChIKey XURKRUSOPSKECO-UHFFFAOYSA-N
Literature Reference DOI 10.1248/cpb.59.480
Molecular Weight 422.521 g/mol
SMILES Oc1ccc(CCc2c(c(O)c(c3c2C=CC(O3)(C)C)CC=C(C)C)C(=O)OC)cc1
SPLASH splash10-0a4i-0101900000-1c2ed40270eb9d73e815
Source of Spectrum E1-59-482-3
Synonyms 7-Hydroxy-5-[2-(4-hydroxyphenyl)ethyl]-2,2-dimethyl-8-(3-methylbut-2-enyl)-1-benzopyran-6-carboxylic acid methyl ester Methyl 7-hydroxy-5-(4-hydroxyphenethyl)-2,2-dimethyl-8-(3-methylbut-2-en-1-yl)-2H-chromene-6-carboxylate Methyl 7-hydroxy-5-[2-(4-hydroxyphenyl)ethyl]-2,2-dimethyl-8-(3-methylbut-2-enyl)chromene-6-carboxylate Methyl 5-[2-(4-hydroxyphenyl)ethyl]-2,2-dimethyl-8-(3-methylbut-2-enyl)-7-oxidanyl-chromene-6-carboxylate
Wiley ID 1743733