Name | (8alpha)-5'alpha-benzyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione |
Synonyms | 8a-isomer Ergocristinine Isoergocristine Einecs 208-119-1 (8alpha)-5'alpha-benzyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione (8α)-12'-Hydroxy-2'-isopropyl-5'α-(phenylmethyl)ergotaman-3',6',18-trione (5'alpha,8alpha)-12'-Hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)ergotaman-3',6',18-trione Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'alpha,8alpha)- |
CAS | 511-07-9 |
EINECS | 208-119-1 |
Molecular Formula | C35H39N5O5 |
Molar Mass | 609.71 |
Density | 1.1839 (rough estimate) |
Melting Point | 226℃ (decomposition) (ethanol ) |
Boling Point | 655.69°C (rough estimate) |
Specific Rotation(α) | D20 +366° (c = 0.68 in chloroform); +471° (c = 0.35 in pyridine) |
pKa | 9.59±0.60(Predicted) |
Refractive Index | 1.7210 (estimate) |
UN IDs | 1544 |
Hazard Class | 6.1(b) |
Packing Group | III |