CAS 11027-63-7|Agnuside
Introduction：Basic information about CAS 11027-63-7|Agnuside, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Agnuside | ||
|---|---|---|---|
| CAS Number | 11027-63-7 | Molecular Weight | 466.435 |
| Density | 1.6±0.1 g/cm3 | Boiling Point | 785.5±60.0 °C at 760 mmHg |
| Molecular Formula | C22H26O11 | Melting Point | 134-136ºC |
| MSDS | ChineseUSA | Flash Point | 273.5±26.4 °C |
| Symbol | GHS07 | Signal Word | Warning |
Names
| Name | [(1S,4aR,5S,7aS)-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate |
|---|---|
| Synonym | More Synonyms |
Agnuside BiologicalActivity
| Description | Agnuside is a compound isolated from Vitex negundo, down-regulates pro-inflammatory mediators PGE2 and LTB4, and reduces the expression of cytokines, with anti-arthritic activity[1]. |
|---|---|
| Related Catalog | Signaling Pathways >>GPCR/G Protein >>Prostaglandin ReceptorResearch Areas >>Inflammation/Immunology |
| References | [1]. Pandey A, et al. Anti-arthritic activity of agnuside mediated through the down-regulation of inflammatory mediators and cytokines. Inflamm Res. 2012 Apr;61(4):293-304. |
Chemical & Physical Properties
| Density | 1.6±0.1 g/cm3 |
|---|---|
| Boiling Point | 785.5±60.0 °C at 760 mmHg |
| Melting Point | 134-136ºC |
| Molecular Formula | C22H26O11 |
| Molecular Weight | 466.435 |
| Flash Point | 273.5±26.4 °C |
| Exact Mass | 466.147522 |
| PSA | 175.37000 |
| LogP | -1.24 |
| Vapour Pressure | 0.0±2.9 mmHg at 25°C |
| Index of Refraction | 1.681 |
| InChIKey | GLACGTLACKLUJX-QNAXTHAFSA-N |
| SMILES | O=C(OCC1=CC(O)C2C=COC(OC3OC(CO)C(O)C(O)C3O)C12)c1ccc(O)cc1 |
| Storage condition | ?20°C |
Safety Information
| Symbol | GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H319 |
| Precautionary Statements | P305 + P351 + P338 |
| Hazard Codes | Xi |
| Risk Phrases | 36 |
| Safety Phrases | 26 |
| RIDADR | NONH for all modes of transport |
| HS Code | 29329990 |
Synonyms
| Benzoic acid, 4-hydroxy-, [(1S,4aR,5S,7aS)-1-(β-D-glucopyranosyloxy)-1,4a,5,7a-tetrahydro-5-hydroxycyclopenta[c]pyran-7-yl]methyl ester |
| [(1S,4aR,5S,7aS)-1-(β-D-Glucopyranosyloxy)-5-hydroxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate |
| [(1S,4aR,5S,7aS)-1-(β-D-Glucopyranosyloxy)-5-hydroxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyr-7-yl]methyl-4-hydroxybenzoat |
| [(1S,4aR,5S,7aS)-5-Hydroxy-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-1,4a,5,7a-tetrahydrocyclopenta[c]pyr-7-yl]methyl-4-hydroxybenzoat |
| [(1S,4aR,5S,7aS)-5-Hydroxy-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-7-yl]methyl 4-hydroxybenzoate |
| unii-jb24q0ot9g |
| 4-Hydroxybenzoate de [(1S,4aR,5S,7aS)-5-hydroxy-1-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}-1,4a,5,7a-tétrahydrocyclopenta[c]pyran-7-yl]méthyle |
| Agnuside |
