Chem
J-GLOBAL ID:200907048435398793   Nikkaji number:J589.608H

Methyl rosmarinate

ロスマリン酸メチル
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C19H18O8
Molecular formula furigana: C19-H18-O8
Molecular weight: 374.345
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+/t17-/m1/s1
InChI key: XHALVRQBZGZHFE-BBOMDTFKSA-N
SMILES: COC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c1ccc(O)c(O)c1
Systematic name  (4):
  • (R)-3,4-ジヒドロキシ-α-[[(E)-3-(3,4-ジヒドロキシフェニル)-1-オキソ-2-プロペニル]オキシ]ベンゼンプロパン酸メチル
  • (R)-α-[[(E)-3-(3,4-ジヒドロキシフェニル)-1-オキソ-2-プロペニル]オキシ]-3,4-ジヒドロキシベンゼンプロパン酸メチル
  • (2R)-3-(3,4-ジヒドロキシフェニル)-1-メトキシ-1-オキソプロパン-2-イル (2E)-3-(3,4-ジヒドロキシフェニル)プロパ-2-エノアート
  • (2R)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxopropan-2-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Other name (4):
  • ロスマリン酸メチル
  • Methyl rosmarinate
  • (R)-α-[[(E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-3,4-dihydroxybenzenepropanoic acid methyl ester
  • Rosmarinic acid methyl ester
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