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MJADXYZFBMLHHG-DHZHZOJOSA-N
SpectraBase Compound ID KW6vNEELSIg
InChI InChI=1S/C23H24O8/c1-26-15-9-7-14(12-17(15)28-3)21-20(23(25)30-5)19-13(8-11-18(24)29-4)6-10-16(27-2)22(19)31-21/h6-12,20-21H,1-5H3/b11-8+
InChIKey MJADXYZFBMLHHG-DHZHZOJOSA-N
Mol Weight 428.44 g/mol
Molecular Formula C23H24O8
Exact Mass 428.147118 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ntMTj3Rr97
Name 3',4',7'-Trimethoxysalvianolic Acid B - Dimethyl Ester
Alternate Name(s) 2-(3,4-dimethoxyphenyl)-7-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]-2,3-dihydrobenzofuran-3-carboxylic acid methyl ester Methyl 2-(3,4-dimethoxyphenyl)-7-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]-2,3-dihydro-1-benzofuran-3-carboxylate Methyl 2-(3,4-dimethoxyphenyl)-7-methoxy-4-[(E)-3-methoxy-3-oxo-prop-1-enyl]-2,3-dihydrobenzofuran-3-carboxylate Methyl 2-(3,4-dimethoxyphenyl)-7-methoxy-4-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-2,3-dihydro-1-benzofuran-3-carboxylate
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Formula C23H24O8
InChI InChI=1S/C23H24O8/c1-26-15-9-7-14(12-17(15)28-3)21-20(23(25)30-5)19-13(8-11-18(24)29-4)6-10-16(27-2)22(19)31-21/h6-12,20-21H,1-5H3/b11-8+
InChIKey MJADXYZFBMLHHG-DHZHZOJOSA-N
Molecular Weight 428.437 g/mol
SMILES C1(C(Oc2c1c(\C=C\C(=O)OC)ccc2OC)c1cc(OC)c(cc1)OC)C(=O)OC
SPLASH splash10-0f9i-0409300000-b1e04c030f798209a81a
Source of Spectrum X2-51-148-1
Wiley ID 1602569