Substance
- Substance Name: rosmarinic acid
- Formula: C18H16O8
- Molecular Weight: 360.3 g/mol
- 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: DOUMFZQKYFQNTF-WUTVXBCWSA-N
- casrn: 20283-92-5
- csmiles: C1=CC(=C(C=C1CC(C(=O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O
- ismiles: C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)O)O
- pubchemId: 5281792
- iupacname: (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid
- wikidataId: Q50380051
- chemspiderId: 4445104
- dsstoxcmpId: DTXCID801326415
- chemblId: CHEMBL324842
- ecnumber: 606-487-1
rosmarinic acid
Systems and Datasets
- rosmarinic acid (Datasets: 2)
- Dataset 1 in paper 10.1021/acs.jced.6b00008 (Dataseries: 1, Datapoints: 1, Quantity: Molar enthalpy of transition or fusion)
- Dataset 2 in paper 10.1021/acs.jced.6b00008 (Dataseries: 1, Datapoints: 1, Quantity: Normal melting temperature)
- methyl ethanoate + rosmarinic acid (Datasets: 1)
- Dataset 3 in paper 10.1021/acs.jced.6b00008 (Dataseries: 1, Datapoints: 5, Quantity: Mole fraction)
- ethyl acetate + rosmarinic acid (Datasets: 1)
- Dataset 4 in paper 10.1021/acs.jced.6b00008 (Dataseries: 1, Datapoints: 5, Quantity: Mole fraction)
- methyl ethanoate + water + rosmarinic acid (Datasets: 1)
- Dataset 5 in paper 10.1021/acs.jced.6b00008 (Dataseries: 1, Datapoints: 25, Quantity: Mole fraction)
- ethyl acetate + water + rosmarinic acid (Datasets: 1)
- Dataset 6 in paper 10.1021/acs.jced.6b00008 (Dataseries: 1, Datapoints: 25, Quantity: Mole fraction)