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4-HYDROXY-GRENOBLONE
SpectraBase Compound ID J5kDKYgyIVA
InChI InChI=1S/C26H30O5/c1-16(2)12-15-26(5)19-13-14-25(3,4)31-23(19)22(29)21(24(26)30)20(28)11-8-17-6-9-18(27)10-7-17/h6-7,9-10,12-14,27,29H,8,11,15H2,1-5H3
InChIKey OMAKHIMGWFTYNH-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 1SrrR2ZhaRz
Name 7-[3-(4-hydroxyphenyl)propanoyl]-2,2,5-trimethyl-5-(3-methylbut-2-enyl)-8-oxidanyl-chromen-6-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30O5
InChI InChI=1S/C26H30O5/c1-16(2)12-15-26(5)19-13-14-25(3,4)31-23(19)22(29)21(24(26)30)20(28)11-8-17-6-9-18(27)10-7-17/h6-7,9-10,12-14,27,29H,8,11,15H2,1-5H3
InChIKey OMAKHIMGWFTYNH-UHFFFAOYSA-N
Molecular Weight 422.521 g/mol
SMILES OC1=C(C(CCc2ccc(cc2)O)=O)C(C(C=2C=CC(OC12)(C)C)(CC=C(C)C)C)=O
SPLASH splash10-0fri-4109000000-705a283ab13892b835e3
Source of Spectrum X2-49-510-2
Synonyms 8-Hydroxy-7-[3-(4-hydroxyphenyl)-1-oxopropyl]-2,2,5-trimethyl-5-(3-methylbut-2-enyl)-1-benzopyran-6-one 8-Hydroxy-7-[3-(4-hydroxyphenyl)propanoyl]-2,2,5-trimethyl-5-(3-methylbut-2-enyl)chromen-6-one
Wiley ID 1601899