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Rosmarinic acid

CAS Registry Number®

20283-92-5

CAS Name

Rosmarinic acid

Molecular Formula

C18H16O8

Molecular Mass

360.31

Cite this Page

Rosmarinic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=20283-92-5 (retrieved 2024-12-25) (CAS RN: 20283-92-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    169-171.5 °C

  • Density (2)

    1.547 g/cm³

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1

InChIKey

InChIKey=DOUMFZQKYFQNTF-WUTVXBCWSA-N

SMILES

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

Canonical SMILES

O=C(OC(C(=O)O)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-, (αR)-
  • Cinnamic acid, 3,4-dihydroxy-, 2-ester with 3-(3,4-dihydroxyphenyl)lactic acid
  • Benzenepropanoic acid, α-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-3,4-dihydroxy-, [R-(E)]-
  • Rosmarinic acid
  • Benzenepropanoic acid, α-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-3,4-dihydroxy-, (αR)-

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