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ISOMURRALONGINOL-ISOVALERATE
SpectraBase Compound ID HEGWcbumWTz
InChI InChI=1S/C20H24O5/c1-12(2)10-18(22)24-11-15(13(3)4)19-16(23-5)8-6-14-7-9-17(21)25-20(14)19/h6-9,12,15H,3,10-11H2,1-2,4-5H3
InChIKey CSGAUVGJICYHPH-UHFFFAOYSA-N
Mol Weight 344.41 g/mol
Molecular Formula C20H24O5
Exact Mass 344.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BSDCsV806Bx
Name Butanoic acid, 3-methyl-, 2-(7-methoxy-2-oxo-2H-1-benzopyran-8-yl)-3-methyl-3-butenyl ester
Alternate Name(s) 2-(7-Methoxy-2-oxo-2H-chromen-8-yl)-3-methyl-3-butenyl 3-methylbutanoate 3-Methylbutanoic acid[2-(7-methoxy-2-oxo-1-benzopyran-8-yl)-3-methylbut-3-enyl]ester 3-Methylbutyric acid[2-(2-keto-7-methoxy-chromen-8-yl)-3-methyl-but-3-enyl]ester Isomurralonginol isovalerate [2-(7-methoxy-2-oxidanylidene-chromen-8-yl)-3-methyl-but-3-enyl]3-methylbutanoate [2-(7-methoxy-2-oxo-chromen-8-yl)-3-methyl-but-3-enyl]3-methylbutanoate
CAS Registry Number 131652-27-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24O5
InChI InChI=1S/C20H24O5/c1-12(2)10-18(22)24-11-15(13(3)4)19-16(23-5)8-6-14-7-9-17(21)25-20(14)19/h6-9,12,15H,3,10-11H2,1-2,4-5H3
InChIKey CSGAUVGJICYHPH-UHFFFAOYSA-N
Molecular Weight 344.407 g/mol
SMILES c12c(C(C(=C)C)COC(=O)CC(C)C)c(OC)ccc2C=CC(O1)=O
SPLASH splash10-0006-0390000000-91a0713d21f807807baf
Source of Spectrum KC-1990-2052-2
Wiley ID 1338023