Introduction：Basic information about CAS 1167424-31-8|9'-Methyl lithospermate B, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 9'-Methyl lithospermate B |
|---|
| CAS Number | 1167424-31-8 | Molecular Weight | 732.640 |
|---|
| Density | 1.6±0.1 g/cm3 | Boiling Point | 992.9±65.0 °C at 760 mmHg |
|---|
| Molecular Formula | C37H32O16 | Melting Point | / |
|---|
| MSDS | / | Flash Point | 310.9±27.8 °C |
|---|
Names
| Name | (2R)-3-(3,4-Dihydroxyphenyl)-2-[({(2R,3R)-2-(3,4-dihydroxyphenyl)-4-[(1E)-3-{[(2R)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxo-2-propanyl]oxy}-3-oxo-1-propen-1-yl]-7-hydroxy-2,3-dihydro-1-benzofuran-3-yl}carbonyl)oxy]propanoic acid |
|---|
| Synonym | More Synonyms |
|---|
9'-Methyl lithospermate B BiologicalActivity
| Description | 9''-Methyl salvianolate B is a phenolic compound isolated from Radix Salvia miltiorrhizae[1]. |
|---|
| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
|---|
| References | [1]. Zeng G, et al. Identification of phenolic constituents in Radix Salvia miltiorrhizae by liquid chromatography/electrospray ionization mass spectrometry. Rapid Commun Mass Spectrom. 2006;20(3):499-506. |
|---|
Chemical & Physical Properties
| Density | 1.6±0.1 g/cm3 |
|---|
| Boiling Point | 992.9±65.0 °C at 760 mmHg |
|---|
| Molecular Formula | C37H32O16 |
|---|
| Molecular Weight | 732.640 |
|---|
| Flash Point | 310.9±27.8 °C |
|---|
| Exact Mass | 732.169006 |
|---|
| LogP | 2.56 |
|---|
| Vapour Pressure | 0.0±0.3 mmHg at 25°C |
|---|
| Index of Refraction | 1.712 |
|---|
| InChIKey | HBYGJMZNCIGGFN-IZZDOVSWSA-N |
|---|
| SMILES | COC(=O)C(Cc1ccc(O)c(O)c1)OC(=O)C=Cc1ccc(O)c2c1C(C(=O)OC(Cc1ccc(O)c(O)c1)C(=O)O)C(c1ccc(O)c(O)c1)O2 |
|---|
| Storage condition | 2-8℃ |
|---|
Synonyms
| 3-Benzofurancarboxylic acid, 2-(3,4-dihydroxyphenyl)-4-[(1E)-3-[(1R)-1-[(3,4-dihydroxyphenyl)methyl]-2-methoxy-2-oxoethoxy]-3-oxo-1-propen-1-yl]-2,3-dihydro-7-hydroxy-, (1R)-1-carboxy-2-(3,4-dihydroxyphenyl)ethyl ester, (2R,3R)- |
| (2R)-3-(3,4-Dihydroxyphenyl)-2-[({(2R,3R)-2-(3,4-dihydroxyphenyl)-4-[(1E)-3-{[(2R)-3-(3,4-dihydroxyphenyl)-1-methoxy-1-oxo-2-propanyl]oxy}-3-oxo-1-propen-1-yl]-7-hydroxy-2,3-dihydro-1-benzofuran-3-yl}carbonyl)oxy]propanoic acid |
| 9'-Methyl lithospermate B |
| 9''-Methyl salvianolate B |
