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Methyl asterrate

View entire compound with spectra: 2 NMR, and 1 MS (GC)

Methyl asterrate
SpectraBase Compound ID 9zojtd8AAEY
InChI InChI=1S/C18H18O8/c1-9-5-12(20)15(18(22)25-4)13(6-9)26-16-11(17(21)24-3)7-10(19)8-14(16)23-2/h5-8,19-20H,1-4H3
InChIKey KYDNOVLBVBYOSW-UHFFFAOYSA-N
Mol Weight 362.33 g/mol
Molecular Formula C18H18O8
Exact Mass 362.100168 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 14lI3V7LJQ7
Name Methyl asterrate
Alternate Name(s) 2-Hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoic acid methyl ester Methyl 2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoate Methyl 2-hydroxy-6-(4-hydroxy-2-methoxy-6-methoxycarbonyl-phenoxy)-4-methyl-benzoate Methyl 2-(2-methoxy-6-methoxycarbonyl-4-oxidanyl-phenoxy)-4-methyl-6-oxidanyl-benzoate
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Formula C18H18O8
InChI InChI=1S/C18H18O8/c1-9-5-12(20)15(18(22)25-4)13(6-9)26-16-11(17(21)24-3)7-10(19)8-14(16)23-2/h5-8,19-20H,1-4H3
InChIKey KYDNOVLBVBYOSW-UHFFFAOYSA-N
Molecular Weight 362.334 g/mol
SMILES Oc1c(c(Oc2c(cc(cc2C(=O)OC)O)OC)cc(c1)C)C(=O)OC
SPLASH splash10-01x0-0049000000-831aede0b67a5f3d790c
Source of Spectrum G4-65-9-4
Wiley ID 1609380