Taxagifine
Modify Date: 2025-08-23 19:40:04
Taxagifine structure
|
Common Name | Taxagifine | ||
|---|---|---|---|---|
| CAS Number | 81489-69-2 | Molecular Weight | 696.737 | |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 736.1±60.0 °C at 760 mmHg | |
| Molecular Formula | C37H44O13 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 221.0±26.4 °C | |
| Name | (1S,3aR,4R,5R,5aR,7S,9S,9aS,10R,11S,11aR)-7-(cinnamoyloxy)-11a-hydroxy-1,3a,9a-trimethyl-6-methylene-13-oxotetradecahydro-1,4-ethanobenzo[5,6]cycloocta[1,2-c]furan-5,9,10,11-tetrayl tetraacetate |
|---|---|
| Synonym | More Synonyms |
| Density | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 736.1±60.0 °C at 760 mmHg |
| Molecular Formula | C37H44O13 |
| Molecular Weight | 696.737 |
| Flash Point | 221.0±26.4 °C |
| Exact Mass | 696.278198 |
| PSA | 178.03000 |
| LogP | 4.13 |
| Vapour Pressure | 0.0±2.5 mmHg at 25°C |
| Index of Refraction | 1.576 |
| InChIKey | FQCUWQFKTUBVLA-PGBLWRDZSA-N |
| SMILES | C=C1C(OC(=O)C=Cc2ccccc2)CC(OC(C)=O)C2(C)C(OC(C)=O)C(OC(C)=O)C3(O)C4(C)OCC3(C)C(CC4=O)C(OC(C)=O)C12 |
| Hazard Codes | Xi |
|---|
| (2α,5α,7β,9α,10β,12α)-2,7,9,10-Tetraacetoxy-11-hydroxy-13-oxo-12,17-epoxytax-4(20)-en-5-yl (2E)-3-phenylacrylate |
| 2-Propenoic acid, 3-phenyl-, (1S,3aR,4R,5R,5aR,7S,9S,9aS,10R,11S,11aR)-5,9,10,11-tetrakis(acetyloxy)tetradecahydro-11a-hydroxy-1,3a,9a-trimethyl-6-methylene-13-oxo-1,4-ethanobenzo[5,6]cycloocta[1,2-c]furan-7-yl ester, (2E)- |
| (2α,5α,7β,9α,10β,12α)-2,7,9,10-tetrakis(acetyloxy)-11-hydroxy-13-oxo-12,17-epoxytax-4(20)-en-5-yl (2E)-3-phenylprop-2-enoate |