methyl (1S,10S,12R,13E)-13-ethylidene-18-[(3,4,5-trimethoxybenzoyl)oxymethyl]-8,15-diazapentacyclo[10.5.1.01,9.02,7.010,15]octadeca-2,4,6,8-tetraene-18-carboxylate
methyl (1S,10S,12R,13E)-13-ethylidene-18-[(3,4,5-trimethoxybenzoyl)oxymethyl]-8,15-diazapentacyclo[10.5.1.01,9.02,7.010,15]octadeca-2,4,6,8-tetraene-18-carboxylate · CAS 85769-33-1
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- methyl (1S,10S,12R,13E)-13-ethylidene-18-[(3,4,5-trimethoxybenzoyl)oxymethyl]-8,15-diazapentacyclo[10.5.1.01,9.02,7.010,15]octadeca-2,4,6,8-tetraene-18-carboxylate
- CAS
- 85769-33-1
- CID
- 102004548
- IUPAC 名称
- methyl (1S,10S,12R,13E)-13-ethylidene-18-[(3,4,5-trimethoxybenzoyl)oxymethyl]-8,15-diazapentacyclo[10.5.1.01,9.02,7.010,15]octadeca-2,4,6,8-tetraene-18-carboxylate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- methyl (1S,10S,12R,13E)-13-ethylidene-18-[(3,4,5-trimethoxybenzoyl)oxymethyl]-8,15-diazapentacyclo[10.5.1.01,9.02,7.010,15]octadeca-2,4,6,8-tetraene-18-carboxylate
- CAS
- 85769-33-1
- CID
- 102004548
- IUPAC 名称
- methyl (1S,10S,12R,13E)-13-ethylidene-18-[(3,4,5-trimethoxybenzoyl)oxymethyl]-8,15-diazapentacyclo[10.5.1.01,9.02,7.010,15]octadeca-2,4,6,8-tetraene-18-carboxylate
分子属性
- 分子式
- C31H34N2O7
- 分子量
- 546.6 g/mol
- 精确质量
- 546.23660143 Da
- 单同位素质量
- 546.23660143 Da
- XLogP
- 3
- 极性表面积
- 95.9 Ų
- 氢键供体
- 0
- 氢键受体
- 9
- 可旋转键
- 9
- 重原子数
- 40
- 净电荷
- 0
- 结构复杂度
- 1060
结构标识
- InChIKey
- VFYWKVVSDATOPJ-MVMNWWGGSA-N
- SMILES
- C/C=C\1/CN2CC[C@@]34C5=CC=CC=C5N=C3[C@@H]2C[C@H]1C4(COC(=O)C6=CC(=C(C(=C6)OC)OC)OC)C(=O)OC
- InChI
- InChI=1S/C31H34N2O7/c1-6-18-16-33-12-11-30-20-9-7-8-10-22(20)32-27(30)23(33)15-21(18)31(30,29(35)39-5)17-40-28(34)19-13-24(36-2)26(38-4)25(14-19)37-3/h6-10,13-14,21,23H,11-12,15-17H2,1-5H3/b18-6-/t21-,23+,30-,31?/m1/s1