Rosmarinic acid
Properties
- Molecular formula
- C18H16O8
- Molar mass
- 360.32 g/mol
- Exact mass
- 360.0845 Da
- Density
- 1.547 g/mL
- Melting point
- 169–171.5 °C
- logP
- 1.76Crippen estimate
- Polar surface area
- 144.5 Ų
- H-bond donors / acceptors
- 5 / 7
- Rotatable bonds
- 6
- Stereocentres
- Rin SMILES atom order
- Double bonds
- EE/Z, in SMILES order
Hazards
Danger
- H301 Toxic if swallowed94.4% of notifiers
- H400 Very toxic to aquatic life94.4% of notifiers
Aggregated from 72 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P273, P301+P316, P321, P330, P391, P405, P501
Identifiers
CAS number
20283-92-5SMILES
O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](Cc1ccc(O)c(O)c1)C(=O)OInChIKey
DOUMFZQKYFQNTF-WUTVXBCWSA-NInChI
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/s1Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
15 names · show all
- 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)]-
- Benzenepropanoic acid, α-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]oxy]-3,4-dihydroxy-, (αR)-
- (αR)-α-[[(2E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxybenzenepropanoic acid
- Rosemary acid
- Rosemaric acid
- RM 21A
- Mamorekku RUH 2
- Meiji red perilla polyphenol
- trans-Rosmarinic acid
- Labiatenic acid
- Labiatic acid
- NPLC 0542
- SYL 001
Work with Rosmarinic acid
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Salvianolic acid96574-01-578 % similar
Chicoric acid6537-80-070 % similar
(-)-Chicoric acid70831-56-070 % similar
Salvianolic acid D142998-47-866 % similar
Caftaric acid67879-58-765 % similar
Salvianolicacid C115841-09-363 % similar
(+)-Lithospermic acid28831-65-462 % similar
Salvianolic acid B115939-25-859 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds