5-oxo-L-proline, compound with 5'α-benzyl-12'-hydroxy-2'-methylergotaman-3',6',18-trione (1:1) structure
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Common Name | 5-oxo-L-proline, compound with 5'α-benzyl-12'-hydroxy-2'-methylergotaman-3',6',18-trione (1:1) | ||
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| CAS Number | 93857-22-8 | Molecular Weight | 710.77500 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C38H42N6O8 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
| Name | einecs 299-154-1 |
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| Molecular Formula | C38H42N6O8 |
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| Molecular Weight | 710.77500 |
| Exact Mass | 710.30600 |
| PSA | 191.59000 |
| LogP | 2.27030 |
| InChIKey | PRQPXYYXDJARKR-ANVJEPNWSA-N |
| SMILES | CN1CC(C(=O)NC2(C)OC3(O)C4CCCN4C(=O)C(Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)CC21.O=C1CCC(C(=O)O)N1 |