Introduction：Basic information about CAS 54713-44-9|(3aR,4R,5R,6aS)-4-((R,E)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl)-2-oxohexahydro-2H-c, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | (3aR,4R,5R,6aS)-4-((R,E)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl[1,1′-biphenyl]-4-carboxylate |
|---|
| CAS Number | 54713-44-9 | Molecular Weight | 517.012 |
|---|
| Density | 1.3±0.1 g/cm3 | Boiling Point | 716.2±60.0 °C at 760 mmHg |
|---|
| Molecular Formula | C30H27ClO6 | Melting Point | / |
|---|
| MSDS | / | Flash Point | 386.9±32.9 °C |
|---|
Names
| Name | (3aR,4R,5R,6aS)-4-((R,E)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl)-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl[1,1′-biphenyl]-4-carboxylate |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
|---|
| Boiling Point | 716.2±60.0 °C at 760 mmHg |
|---|
| Molecular Formula | C30H27ClO6 |
|---|
| Molecular Weight | 517.012 |
|---|
| Flash Point | 386.9±32.9 °C |
|---|
| Exact Mass | 516.170349 |
|---|
| PSA | 82.06000 |
|---|
| LogP | 5.86 |
|---|
| Vapour Pressure | 0.0±2.4 mmHg at 25°C |
|---|
| Index of Refraction | 1.643 |
|---|
| InChIKey | DNWCHCXQZFJKPS-QYNIEUIISA-N |
|---|
| SMILES | O=C1CC2C(CC(OC(=O)c3ccc(-c4ccccc4)cc3)C2C=CC(O)COc2cccc(Cl)c2)O1 |
|---|
Synonyms
| [1,1'-Biphenyl]-4-carboxylic acid, (3aR,4R,5R,6aS)-4-[(1E,3S)-5-(3-chlorophenyl)-3-hydroxy-1-penten-1-yl]hexahydro-2-oxo-2H-cyclopenta[b]furan-5-yl ester |
| (3aR,4R,5R,6aS)-4-[(1E,3S)-5-(3-Chlorophenyl)-3-hydroxy-1-penten-1-yl]-2-oxohexahydro-2H-cyclopenta[b]furan-5-yl 4-biphenylcarboxylate |
| [3aR-[3aalpha,4alpha(1E,3R<sup>*</sup>),5beta,6aalpha]]-[1,1'-Biphenyl]-4-carboxylic acid 4-[4-(3-chlorophenoxy)-3-hydroxy-1-butenyl]hexahydro-2-oxo-2H-cyclopenta[b]furan-5-yl ester |
