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Murrangatin acetate
SpectraBase Compound ID GcES6JpNpZJ
InChI InChI=1S/C17H18O6/c1-9(2)15(20)17(22-10(3)18)14-12(21-4)7-5-11-6-8-13(19)23-16(11)14/h5-8,15,17,20H,1H2,2-4H3
InChIKey PDSMUJYSJVAMNJ-UHFFFAOYSA-N
Mol Weight 318.33 g/mol
Molecular Formula C17H18O6
Exact Mass 318.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1JgUJMeTU8
Name Murrangatin acetate
Alternate Name(s) 2-Hydroxy-1-(7-methoxy-2-oxo-2H-chromen-8-yl)-3-methyl-3-butenyl acetate Acetic acid[2-hydroxy-1-(2-keto-7-methoxy-chromen-8-yl)-3-methyl-but-3-enyl]ester Acetic acid[2-hydroxy-1-(7-methoxy-2-oxo-1-benzopyran-8-yl)-3-methylbut-3-enyl]ester [1-(7-methoxy-2-oxidanylidene-chromen-8-yl)-3-methyl-2-oxidanyl-but-3-enyl]ethanoate [2-hydroxy-1-(7-methoxy-2-oxo-chromen-8-yl)-3-methyl-but-3-enyl]acetate Acetic acid [2-hydroxy-1-(7-methoxy-2-oxo-1-benzopyran-8-yl)-3-methylbut-3-enyl] ester [2-hydroxy-1-(7-methoxy-2-oxochromen-8-yl)-3-methylbut-3-enyl] acetate [2-hydroxy-1-(7-methoxy-2-oxo-chromen-8-yl)-3-methyl-but-3-enyl] acetate [1-(7-methoxy-2-oxidanylidene-chromen-8-yl)-3-methyl-2-oxidanyl-but-3-enyl] ethanoate
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Formula C17H18O6
InChI InChI=1S/C17H18O6/c1-9(2)15(20)17(22-10(3)18)14-12(21-4)7-5-11-6-8-13(19)23-16(11)14/h5-8,15,17,20H,1H2,2-4H3
InChIKey PDSMUJYSJVAMNJ-UHFFFAOYSA-N
Molecular Weight 318.325 g/mol
SMILES OC(C(c1c2OC(=O)C=Cc2ccc1OC)OC(=O)C)C(=C)C
SPLASH splash10-0a4i-0390000000-a5c1c2c8eeee2c043fbc
Source of Spectrum E1-37-362-17
Wiley ID 1517566