| Record Information |
|---|
| Version | 1.0 |
|---|
| Creation date | 2018-04-16 08:30:46 UTC |
|---|
| Update date | 2018-04-17 10:38:09 UTC |
|---|
| FoodComEx ID | PC001118 |
|---|
| FoodDB Record | FDB002427 |
|---|
| Chemical Information |
|---|
| Name | Rosmarinic acid |
|---|
| Description | Rosmarinic acid is an ester of caffeic acid and 3,4-dihydroxyphenyllactic acid. Rosmarinic acid is one of the polyphenolic substances contained in culinary herbs such as perilla (Perilla frutescens L.), rosemary (Rosmarinus officinalis L.), sage (Salvia officinalis L.), mint (Mentha arvense L.), and basil (Ocimum basilicum L.). It is a red-orange powder that is slightly soluble in water, but well soluble is most organic solvents. |
|---|
| CAS Number | 537-15-5 |
|---|
| Structure | |
|---|
| Synonyms | | Synonym | Source |
|---|
| (2R)-O-Caffeoyl-3-(3,4-dihydroxyphenyl)lactate | Generator | | (2R)-O-Caffeoyl-3-(3,4-dihydroxyphenyl)lactic acid | ChEBI | | Labiatenic acid | db_source | | Rosemarinic acid | db_source | | Rosemary acid | biospider | | Rosmarinate | biospider | | Rosmarinic acid | db_source |
|
|---|
| Chemical Formula | C18H16O8 |
|---|
| IUPAC name | 3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}propanoic acid |
|---|
| InChI Identifier | 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+ |
|---|
| InChI Key | DOUMFZQKYFQNTF-ZZXKWVIFSA-N |
|---|
| Isomeric SMILES | [H]\C(=C(\[H])C1=CC(O)=C(O)C=C1)C(=O)OC(CC1=CC(O)=C(O)C=C1)C(O)=O |
|---|
| Average Molecular Weight | 360.3148 |
|---|
| Monoisotopic Molecular Weight | 360.084517488 |
|---|
| Chemical Taxonomy |
|---|
| Class | Polyphenols |
|---|
| Family | Hydroxycinnamic acids |
|---|
| Physico-Chemical Properties - Experimental |
|---|
| Property | Value | Reference |
|---|
| Experimental logP | Not Available | |
|---|
| Experimental Water Solubility | Not Available | |
|---|
| Melting Point | Mp 204° dec. | DFC |
|---|
|
| Foods of Origin |
|---|
| Rosemary, herbs |
| Production Data |
|---|
| Production Method | commercial |
|---|
| Production Method Reference | Not Available |
|---|
| Production Method Reference File | Not Available |
|---|
| Quantity Available | 1 to 5 mg |
|---|
| Delivery Time | 2 weeks |
|---|
| Storage Form | powder |
|---|
| Storage Conditions | 4°C |
|---|
| Stability | Not Available |
|---|
| Purity | >98% |
|---|
| Spectra |
|---|
| Spectral Data Upon Request | Not Available |
|---|
| Provider Information |
|---|
| Contact Name | Contact Institution | Contact Email |
|---|
| Claudine Manach | INRAE, Human Nutrition, Research Center Clermont-Auvergne-Rhône-Alpes, Clermont-Ferrand, FR, F-63122 | claudine.manach@inra.fr |
|
| Commercial Vendors |
|---|
| Not Available |
