Introduction：Basic information about CAS 948038-36-6|Bruceantinol A, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Bruceantinol A |
|---|
| CAS Number | 948038-36-6 | Molecular Weight | 592.588 |
|---|
| Density | 1.5±0.1 g/cm3 | Boiling Point | 839.2±65.0 °C at 760 mmHg |
|---|
| Molecular Formula | C29H36O13 | Melting Point | / |
|---|
| MSDS | / | Flash Point | 274.1±27.8 °C |
|---|
Names
| Name | Bruceantinol A |
|---|
| Synonym | More Synonyms |
|---|
Bruceantinol A BiologicalActivity
| Description | Bruceantinol A, a natural compound, can be isolated from Brucea javanica seeds[1]. |
|---|
| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
|---|
| References | [1]. Tan T, et al. Comprehensive profiling and characterization of quassinoids from the seeds of Brucea javanica via segment and exposure strategy coupled with modified mass defect filter. Anal Bioanal Chem. 2016 Jan;408(2):527-33. |
|---|
Chemical & Physical Properties
| Density | 1.5±0.1 g/cm3 |
|---|
| Boiling Point | 839.2±65.0 °C at 760 mmHg |
|---|
| Molecular Formula | C29H36O13 |
|---|
| Molecular Weight | 592.588 |
|---|
| Flash Point | 274.1±27.8 °C |
|---|
| Exact Mass | 592.215576 |
|---|
| LogP | 2.01 |
|---|
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
|---|
| Index of Refraction | 1.614 |
|---|
| InChIKey | HPJCIKYCFBCHLF-IVOVFOCPSA-N |
|---|
| SMILES | CC(=O)OC(C)(C)C(C)=CC(=O)OC1C(=O)OC2CC3C(C)=C(O)C(=O)CC3(C)C3C(O)C(O)C4(C(=O)O)OCC23C14 |
|---|
Synonyms
| (11β,12α,15β)-15-{[(2E)-4-(acetyloxy)-3,4-dimethylpent-2-enoyl]oxy}-3,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oic acid |
| Picras-3-en-21-oic acid, 15-[[(2E)-4-(acetyloxy)-3,4-dimethyl-1-oxo-2-penten-1-yl]oxy]-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-, (11β,12α,15β)- |
| (11β,12α,15β)-15-{[(2E)-4-Acetoxy-3,4-dimethyl-2-pentenoyl]oxy}-3,11,12-trihydroxy-2,16-dioxo-13,20-epoxypicras-3-en-21-oic acid |
