CAS 82508-36-9|Demethoxydeacetoxypseudolaric acid B
Introduction：Basic information about CAS 82508-36-9|Demethoxydeacetoxypseudolaric acid B, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Demethoxydeacetoxypseudolaric acid B | ||
|---|---|---|---|
| CAS Number | 82508-36-9 | Molecular Weight | 376.40 |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 528.8±50.0 °C at 760 mmHg |
| Molecular Formula | C20H24O7 | Melting Point | / |
| MSDS | / | Flash Point | 228.0±30.2 °C |
Names
| Name | (1R,7S,8R,9R)-9-[(1E,3E)-4-Carboxy-1,3-pentadien-1-yl]-7-hydroxy-9-methyl-11-oxo-10-oxatricyclo[6.3.2.01,7]tridec-3-ene-4-carboxylic acid |
|---|---|
| Synonym | More Synonyms |
Demethoxydeacetoxypseudolaric acid B BiologicalActivity
| Description | Demethoxydeacetoxypseudolaric acid B is a metabolite of the glucoside of pseudolaric acid C2 (PC2)[1]. |
|---|---|
| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
| References | [1]. Liu P,et al. Yao Xue Xue Bao. 2014;49(8):1169-1174. |
Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 528.8±50.0 °C at 760 mmHg |
| Molecular Formula | C20H24O7 |
| Molecular Weight | 376.40 |
| Flash Point | 228.0±30.2 °C |
| Exact Mass | 402.204254 |
| PSA | 121.13000 |
| LogP | 4.00 |
| Vapour Pressure | 0.0±1.4 mmHg at 25°C |
| Index of Refraction | 1.543 |
| InChIKey | QPFFEVMIQIJTGZ-XYWPTNBISA-N |
| SMILES | CC(=CC=CC1(C)OC(=O)C23CC=C(C(=O)O)CCC2(O)C1CC3)C(=O)O |
Safety Information
| Hazard Codes | Xi |
|---|
Synonyms
| Methyl (2E,4E)-5-[(1R,7S,8S,9R)-7-acetoxy-4,9-dimethyl-11-oxo-10-oxatricyclo[6.3.2.0]tridec-3-en-9-yl]-2-methyl-2,4-pentadienoate |
| 1H-4,9a-Ethanocyclohepta[c]pyran-7-carboxylic acid, 4a-(acetyloxy)-3,4,4a,5,6,9-hexahydro-3-[(1E,3E)-5-methoxy-4-methyl-5-oxo-1,3-pentadien-1-yl]-3-methyl-1-oxo-, methyl ester, (3R,4S,4aS,9aR)- |
| 1H-4,9a-Ethanocyclohepta[c]pyran-7-carboxylic acid, 3-[(1E,3E)-4-carboxy-1,3-pentadien-1-yl]-3,4,4a,5,6,9-hexahydro-4a-hydroxy-3-methyl-1-oxo-, (3R,4R,4aS,9aR)- |
| (1R,7S,8R,9R)-9-[(1E,3E)-4-Carboxy-1,3-pentadien-1-yl]-7-hydroxy-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0]tridec-3-ene-4-carboxylic acid |
| 2,4-Pentadienoic acid, 5-[(3R,4S,4aS,9aR)-4a-(acetyloxy)-3,4,4a,5,6,9-hexahydro-3,7-dimethyl-1-oxo-1H-4,9a-ethanocyclohepta[c]pyran-3-yl]-2-methyl-, methyl ester, (2E,4E)- |
| Methyl (1R,7S,8S,9R)-7-acetoxy-9-[(1E,3E)-5-methoxy-4-methyl-5-oxo-1,3-pentadien-1-yl]-9-methyl-11-oxo-10-oxatricyclo[6.3.2.0]tridec-3-ene-4-carboxylate |
