2'-Ethyl-12'-hydroxy-5'α-(2-methylpropyl)ergotaman-3',6',18-trione

• 常用名: 2'-Ethyl-12'-hydroxy-5'α-(2-methylpropyl)ergotaman-3',6',18-trione
• 英文名: 2'-Ethyl-12'-hydroxy-5'α-(2-methylpropyl)ergotaman-3',6',18-trione
• CAS号: 29475-05-6
• 分子量: 561.67200
• 密度: N/A
• 沸点: N/A
• 分子式: C₃₁H₃₉N₅O₅
• 熔点: N/A
• 闪点: N/A

名称

• 英文名: 2'-ethyl-12'-hydroxy-5'-isobutyl-ergotamane-18,3',6'-trione

物理化学性质

• 分子式: C₃₁H₃₉N₅O₅
• 分子量: 561.67200
• 精确质量: 561.29500
• PSA: 118.21000
• LogP: 2.38890
• InChIKey: JFRCRHHCXKEHBW-YKAZNSBZSA-N
• SMILES: CCC1(NC(=O)C2C=C3c4cccc5[nH]cc(c45)CC3N(C)C2)OC2(O)C3CCCN3C(=O)C(CC(C)C)N2C1=O

英文别名

• Ergoptin
• (6aR,9R)-7-Methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid ((2R,5S,10aS,10bS)-2-ethyl-10b-hydroxy-5-isobutyl-3,6-dioxo-octahydro-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-amide