Jatrophane 1
Modify Date: 2025-08-27 16:43:04
Jatrophane 1 structure
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Common Name | Jatrophane 1 | ||
|---|---|---|---|---|
| CAS Number | 210108-85-3 | Molecular Weight | 684.727 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 703.4±60.0 °C at 760 mmHg | |
| Molecular Formula | C36H45NO13 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 285.1±32.9 °C | |
| Name | (1R,2R,3aR,5R,9R,11R,13R,13aS,E)-2,5,8,8-tetramethyl-12-methylene-9-(nicotinoyloxy)-4-oxo-1,2,3,4,5,8,9,10,11,12,13,13a-dodecahydro-3aH-cyclopenta[12]annulene-1,2,3a,11,13-pentayl pentaacetate |
|---|---|
| Synonym | More Synonyms |
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 703.4±60.0 °C at 760 mmHg |
| Molecular Formula | C36H45NO13 |
| Molecular Weight | 684.727 |
| Flash Point | 285.1±32.9 °C |
| Exact Mass | 684.278198 |
| PSA | 187.76000 |
| LogP | 5.42 |
| Vapour Pressure | 0.0±2.2 mmHg at 25°C |
| Index of Refraction | 1.539 |
| InChIKey | MBIDOILZBVMYQI-ALCXGGQDSA-N |
| SMILES | C=C1C(OC(C)=O)CC(OC(=O)c2cccnc2)C(C)(C)C=CC(C)C(=O)C2(OC(C)=O)CC(C)(OC(C)=O)C(OC(C)=O)C2C1OC(C)=O |
| Hazard Codes | Xi |
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| 1,2,4-Cyclopentatriene-1-carboxylic acid, (2R,3R,3aS,4R,6R,8R,10Z,12R,13aR)-2,3,4,6,13a-pentakis(acetyloxy)-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-2,9,9,12-tetramethyl-5-methylene-13-oxo-1H-cyclopentacyclododecen-8-yl ester |
| (2R,3R,3aS,4R,6R,8R,10Z,12R,13aR)-2,3,4,6,13a-Pentaacetoxy-2,9,9,12-tetramethyl-5-methylene-13-oxo-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-1H-cyclopenta[12]annulen-8-yl 1,2,4-cyclopentatriene-1-carboxylate |