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537-15-5

537-15-5 Structure

537-15-5 Structure
IdentificationBack Directory
[Name]

ROSMARINIC ACID
[CAS]

537-15-5
[Synonyms]

ROSMARINATE
rosmarinate acid
ROSMARINIC ACID 537-15-5
Rosmarinic acid (racemate)
(R)-2-(3,4-DIHYDROXYCINNAMOYLOXY)-3-(3,4-DIHYDROXYPHENYL)LACTIC ACID
3-(3,4-Dihydroxyphenyl)-2-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]propanoic acid
3-(3,4-DIHYDROXYPHENYL)ACRYLIC ACID-1-CARBOXY-2-(3,4-DIHYDROXYPHENYL)ETHYL ESTER
(R)-A-[3-(3,4-DIHYDROXYPHENYL)-1-OXO-2E-PROPENYL]OXY-3,4-DIHYDROXYBENZENEPROPANOIC ACID
Benzenepropanoic acid, α-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxy-
Benzenepropanoic acid, a-[[3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxy-
(R)-ALPHA-[[3-(3,4-DIHYDROXYPHENYL)-1-OXO-2E-PROPENYL]OXY]-3,4-DIHYDROXY-BENZENEPROPANOIC ACID
[R-(+)]-ALPHA-[[3-(3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL]OXY]-3,4-DIHYDROXYBENZENEPROPANOIC ACID
[Molecular Formula]

C18H16O8
[MDL Number]

MFCD00017740
[MOL File]

537-15-5.mol
[Molecular Weight]

360.31
Chemical PropertiesBack Directory
[Melting point ]

171-175 °C(lit.)
[Boiling point ]

694.7±55.0 °C(Predicted)
[density ]

1.547±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

Soluble in DMSO
[form ]

Solid
[pka]

2.81±0.10(Predicted)
[color ]

White to off-white
[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)
[InChIKey]

DOUMFZQKYFQNTF-UHFFFAOYSA-N
[SMILES]

C(C1C=CC(=C(C=1)O)O)C(C(=O)O)OC(=O)C=CC1C=CC(=C(C=1)O)O
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/38
[Safety Statements ]

26-37/39
[WGK Germany ]

3
[RTECS ]

GD8990000
[F ]

10-23
[Hazardous Substances Data]

537-15-5(Hazardous Substances Data)
Hazard InformationBack Directory
[Uses]

antiinflammatory, antithrombotic, antiplatelet, cytostatic, antiviral
[Definition]

ChEBI: The 1-carboxy-2-(2,4-dihydroxyphenyl)ethyl ester of trans-caffeic acid.
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

ROSMARINIC ACID(537-15-5)1HNMR
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