CAS: 177262-32-7; N-((S)-1-((2R,3R,4S,5R,10S)-5,10-Dihydroxy-6,8-Dimethoxy-2-(4-Methoxyphenyl)-3-Phenyl-2,3,4,5-Tetrahydro-2,5-Methanobenzo[b]Oxepine-4-Carbonyl)Pyrrolidin-2-yl)-2-Methylbutanamide

• 英文名称N-((S)-1-((2R,3R,4S,5R,10S)-5,10-Dihydroxy-6,8-Dimethoxy-2-(4-Methoxyphenyl)-3-Phenyl-2,3,4,5-Tetrahydro-2,5-Methanobenzo[b]Oxepine-4-Carbonyl)Pyrrolidin-2-yl)-2-Methylbutanamide
• 中文名称N-((S)-1-((2R,3R,4S,5R,10S)-5,10-二羟基-6,8-二甲氧基-2-(4-甲氧基苯基)-3-苯基-2,3,4,5-四氢-2,5-亚甲基苯并[B]B-4-羰基)吡咯烷-2-基)-2-甲基丁酰胺
• IUPAC名称N-((S)-1-((2R,3R,4S,5R,10S)-5,10-dihydroxy-6,8-dimethoxy-2-(4-methoxyphenyl)-3-phenyl-2,3,4,5-tetrahydro-2,5-methanobenzo[b]oxepine-4-carbonyl)pyrrolidin-2-yl)-2-methylbutanamide
• 其它别名Aglain B; Aglaine B; Butanamide, 2-Methyl-N-[(2S)-1-[[(2S,3R,4S,5S,10R)-2,3,4,5-Tetrahydro-5,10-Dihydroxy-6,8-Dimethoxy-2-(4-Methoxyphenyl)-3-Phenyl-2,5-Methano-1-Benzoxepin-4-Yl]Carbonyl]-2-Pyrrolidinyl]-, (2S)-; N-[1-[(1S,9S)-1,12-Dihydroxy-3,5-Dimethoxy-9-(4-Methoxyphenyl)-10-Phenyl-8-Oxatricyclo[7.2.1.02,7]Dodeca-2(7),3,5-Triene-11-Carbonyl ]Pyrrolidin-2-Yl]-2-Methylbutanamide
• CAS编号177262-32-7
• MFCD编号:MFCD28100591
• 分子式:C36H42N2O8分子量:630.74
• 产品CID: 902412
• 产品分类天然产物 → 生物碱

• 相似结构搜索
• 产品信息参考;;
• InChIKey: KPCVKSYNYMIDEN-CQDAKBOLSA-N
• InChI=1S/C36H42N2O8/c1-6-21(2)32(39)37-28-13-10-18-38(28)33(40)31-29(22-11-8-7-9-12-22)36(23-14-16-24(43-3)17-15-23)34(41)35(31,42)30-26(45-5)19-25(44-4)20-27(30)46-36/h7
• 计算化学: 氢键受体数8.0氢键供体数3.0可旋转键数9.0

物理性质

• 沸点839.9±65.0 °C(预测)
• 密度1.33±0.1 g/cm3(预测)
• pKa:12.10±0.70(预测)
• PSA:126.79
• LogP:4.402

MSDS等安全信息

合成工艺路线路线简述

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管