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(+/-)-ROSEMARINIC-ACID-METHYLESTER
SpectraBase Compound ID Cp8B1NYbb1o
InChI InChI=1S/C19H18O8/c1-26-19(25)17(10-12-3-6-14(21)16(23)9-12)27-18(24)7-4-11-2-5-13(20)15(22)8-11/h2-9,17,20-23H,10H2,1H3/b7-4+
InChIKey XHALVRQBZGZHFE-QPJJXVBHSA-N
Mol Weight 374.35 g/mol
Molecular Formula C19H18O8
Exact Mass 374.100168 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hd4T2mC8tH1
Name Methyl rosmarinate
Alternate Name(s) 3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]propanoic acid methyl ester 3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy-propionic acid methyl ester Methyl 3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-propanoate Methyl 3-[3,4-bis(oxidanyl)phenyl]-2-[(E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoyl]oxy-propanoate
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Formula C19H18O8
InChI InChI=1S/C19H18O8/c1-26-19(25)17(10-12-3-6-14(21)16(23)9-12)27-18(24)7-4-11-2-5-13(20)15(22)8-11/h2-9,17,20-23H,10H2,1H3/b7-4+
InChIKey XHALVRQBZGZHFE-QPJJXVBHSA-N
Molecular Weight 374.345 g/mol
SMILES Oc1cc(\C=C\C(OC(Cc2ccc(c(c2)O)O)C(=O)OC)=O)ccc1O
SPLASH splash10-0002-9750000000-6d9b5f63f5b6219be6c7
Source of Spectrum AH-128-1006-10
Wiley ID 1356527