Introduction:Basic information about CAS 21499-24-1|agrimonolide, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | agrimonolide |
|---|
| CAS Number | 21499-24-1 | Molecular Weight | 314.332 |
|---|
| Density | 1.3±0.1 g/cm3 | Boiling Point | 581.1±50.0 °C at 760 mmHg |
|---|
| Molecular Formula | C18H18O5 | Melting Point | / |
|---|
| MSDS | / | Flash Point | 215.5±23.6 °C |
|---|
Names
| Name | (3S)-6,8-Dihydroxy-3-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-is ochromen-1-one |
|---|
| Synonym | More Synonyms |
|---|
agrimonolide BiologicalActivity
| Description | Agrimonolide (compound 9) is a natural product is isolated from agrimonia pilosa[1]. |
|---|
| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
|---|
| References | [1]. Kim HW, et al. Acylphloroglucinolated Catechin and Phenylethyl Isocoumarin Derivatives from Agrimonia pilosa. J Nat Prod. 2016 Sep 23;79(9):2376-83. |
|---|
Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
|---|
| Boiling Point | 581.1±50.0 °C at 760 mmHg |
|---|
| Molecular Formula | C18H18O5 |
|---|
| Molecular Weight | 314.332 |
|---|
| Flash Point | 215.5±23.6 °C |
|---|
| Exact Mass | 314.115417 |
|---|
| PSA | 75.99000 |
|---|
| LogP | 3.49 |
|---|
| Vapour Pressure | 0.0±1.7 mmHg at 25°C |
|---|
| Index of Refraction | 1.612 |
|---|
| InChIKey | TYFJTEPDESMEHE-HNNXBMFYSA-N |
|---|
| SMILES | COc1ccc(CCC2Cc3cc(O)cc(O)c3C(=O)O2)cc1 |
|---|
Safety Information
| Hazard Codes | Xi |
|---|
| HS Code | 2932209090 |
|---|
Customs
| HS Code | 2932209090 |
|---|
| Summary | 2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
|---|
Synonyms
| 1H-2-Benzopyran-1-one, 3,4-dihydro-6,8-dihydroxy-3-(2-(4-methoxyphenyl)ethyl)-, (S)- |
| Agrimonolid |
| 1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID HYDROCHORIDE |
| 6,7-DIMETHOXY-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID HYDROCHORIDE |
| 1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID HYDROCHLORIDE |
| S-6,7-dimethoxy-1,2,3,4-Tetrahydro-3-isoquinolinecarboxylicacidHCl |
| 1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXYLIC ACID HYDROCHLORIDE |
| (3S)-6,8-Dihydroxy-3-[2-(4-methoxyphenyl)ethyl]-3,4-dihydro-1H-isochromen-1-one |
| 1H-2-Benzopyran-1-one, 3,4-dihydro-6,8-dihydroxy-3-[2-(4-methoxyphenyl)ethyl]-, (3S)- |
| DL-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID HYDROCHLORIDE |
| agrimonolide |