
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 2873-38-3 |
| Catalog No. | 2A-4180783 |
| Chinese Name | ergovaline |
| Synonyms | 12'-hydroxy-5'-isopropyl-2'-methyl-ergotamane-18,3',6'-trione; 6-Dodecanone,12-hydroxy-2-methyl; 12-hydroxy-2-methyl-dodecan-6-one |
| Molecular Formula | C29H35N5O5 |
| Molecular Weight | 533.61900 |
| Purity | 98% |
| Density | 1.45g/cm3 |
| Boiling Point | 859.1ºC at 760 mmHg |
| PubChem ID | 24449938 |
| SMILES | CC(C)C1C(=O)N2CCCC2C2(O)OC(C)(NC(=O)C3C=C4c5cccc6[nH]cc(c56)CC4N(C)C3)C(=O)N12 |
| InChI | InChI=1S/C29H35N5O5/c1-15(2)24-26(36)33-10-6-9-22(33)29(38)34(24)27(37)28(3,39-29)31-25(35)17-11-19-18-7-5-8-20-23(18)16(13-30-20)12-21(19)32(4)14-17/h5,7-8,11,13,15,17,21-22,24,30,38H,6,9-10,12,14H2,1-4H3,(H,31,35)/t17-,21-,22+,24+,28-,29+/m1/s1 |
| InChI Key | BGHDUTQZGWOQIA-VQSKNWBGSA-N |
| Transport Info | Product name: Ergovaline |
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