Pyrocincholic acid methyl ester
Modify Date: 2025-08-27 22:22:55
Pyrocincholic acid methyl ester structure
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Common Name | Pyrocincholic acid methyl ester | ||
|---|---|---|---|---|
| CAS Number | 107160-24-7 | Molecular Weight | 456.700 | |
| Density | 1.1±0.1 g/cm3 | Boiling Point | 523.4±50.0 °C at 760 mmHg | |
| Molecular Formula | C30H48O3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 191.8±22.9 °C | |
| Name | Methyl (4aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-2,2,6b,9,9,12a -hexamethyl-1,3,4,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14b-octa decahydro-4a(2H)-picenecarboxylate |
|---|---|
| Synonym | More Synonyms |
| Density | 1.1±0.1 g/cm3 |
|---|---|
| Boiling Point | 523.4±50.0 °C at 760 mmHg |
| Molecular Formula | C30H48O3 |
| Molecular Weight | 456.700 |
| Flash Point | 191.8±22.9 °C |
| Exact Mass | 456.360352 |
| PSA | 46.53000 |
| LogP | 9.11 |
| Vapour Pressure | 0.0±3.1 mmHg at 25°C |
| Index of Refraction | 1.544 |
| InChIKey | HVJLCVYGDWRBEN-DVXVSMJQSA-N |
| SMILES | COC(=O)C12CCC3=C(CCC4C3(C)CCC3C(C)(C)C(O)CCC43C)C1CC(C)(C)CC2 |
| Hazard Codes | Xi |
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Pyrocincholic a... CAS#:107160-24-7 |
| Literature: Tschesche,R. et al. Justus Liebigs Annalen der Chemie, 1963 , vol. 667, p. 151 - 163 |
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Pyrocincholic a... CAS#:107160-24-7 |
| Literature: Tschesche,R. et al. Justus Liebigs Annalen der Chemie, 1963 , vol. 667, p. 151 - 163 |
| Precursor 3 | |
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| DownStream 0 | |
| Methyl (4aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14b-octadecahydro-4a(2H)-picenecarboxylate |
| Pyrocincholsaeuremethylester |
| 4a(2H)-Picenecarboxylic acid, 1,3,4,5,6,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14b-octadecahydro-10-hydroxy-2,2,6b,9,9,12a-hexamethyl-, methyl ester, (4aS,6bR,8aR,10S,12aR,12bR,14bS)- |