Methyl rosmarinate

CAS Registry Number®

99353-00-1
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CAS Name

Methyl rosmarinate

Molecular Formula

C19H18O8

Molecular Mass

374.34

Cite this Page

Methyl rosmarinate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=99353-00-1 (retrieved 2024-05-05) (CAS RN: 99353-00-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

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

InChIKey

InChIKey=XHALVRQBZGZHFE-BBOMDTFKSA-N

SMILES

C([C@@H](OC(/C=C/C1=CC(O)=C(O)C=C1)=O)C(OC)=O)C2=CC(O)=C(O)C=C2

Canonical SMILES

O=C(OC(C(=O)OC)CC1=CC=C(O)C(O)=C1)C=CC2=CC=C(O)C(O)=C2

Other Names for this Substance

  • Benzenepropanoic acid, α-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxy-, methyl ester, (αR)-
  • Benzenepropanoic acid, α-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-3,4-dihydroxy-, methyl ester, [R-(E)]-
  • Benzenepropanoic acid, α-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-3,4-dihydroxy-, methyl ester, (αR)-
  • Methyl rosmarinate
  • Rosmarinic acid methyl ester

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