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3-[5-hydroxy-4-keto-7-methoxy-2,3-dimethyl-6-(3-methylbut-2-enyl)chroman-8-yl]-3-phenyl-propionic acid
SpectraBase Compound ID 3yVikf0Ci0t
InChI InChI=1S/C26H30O6/c1-14(2)11-12-18-24(30)22-23(29)15(3)16(4)32-26(22)21(25(18)31-5)19(13-20(27)28)17-9-7-6-8-10-17/h6-11,15-16,19,30H,12-13H2,1-5H3,(H,27,28)
InChIKey ACZWCVUDIJFTCT-UHFFFAOYSA-N
Mol Weight 438.52 g/mol
Molecular Formula C26H30O6
Exact Mass 438.204239 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8oRJemZlWZ
Name 3-[5-hydroxy-4-keto-7-methoxy-2,3-dimethyl-6-(3-methylbut-2-enyl)chroman-8-yl]-3-phenyl-propionic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H30O6
InChI InChI=1S/C26H30O6/c1-14(2)11-12-18-24(30)22-23(29)15(3)16(4)32-26(22)21(25(18)31-5)19(13-20(27)28)17-9-7-6-8-10-17/h6-11,15-16,19,30H,12-13H2,1-5H3,(H,27,28)
InChIKey ACZWCVUDIJFTCT-UHFFFAOYSA-N
Molecular Weight 438.520 g/mol
SMILES OC(CC(c1c2c(c(c(c1OC)CC=C(C)C)O)C(C(C(O2)C)C)=O)c1ccccc1)=O
SPLASH splash10-000i-1019800000-fd600e1e27ad05edda90
Source of Spectrum X2-55-1419-1
Synonyms 3-[5-hydroxy-7-methoxy-2,3-dimethyl-6-(3-methylbut-2-enyl)-4-oxo-2,3-dihydrochromen-8-yl]-3-phenylpropanoic acid 3-[5-hydroxy-7-methoxy-2,3-dimethyl-6-(3-methylbut-2-enyl)-4-oxo-3,4-dihydro-2H-1-benzopyran-8-yl]-3-phenylpropanoic acid 3-[5-hydroxy-7-methoxy-2,3-dimethyl-6-(3-methylbut-2-enyl)-4-oxo-chroman-8-yl]-3-phenyl-propanoic acid 3-[7-methoxy-2,3-dimethyl-6-(3-methylbut-2-enyl)-5-oxidanyl-4-oxidanylidene-2,3-dihydrochromen-8-yl]-3-phenyl-propanoic acid
Wiley ID 1604579