3',4'-Dehydrovinblastine
3',4'-Dehydrovinblastine · CAS 38390-45-3
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 3',4'-Dehydrovinblastine
- CAS
- 38390-45-3
- CID
- 151120
- IUPAC 名称
- methyl (9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15R)-17-ethyl-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 3',4'-Dehydrovinblastine
- CAS
- 38390-45-3
- CID
- 151120
- IUPAC 名称
- methyl (9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15R)-17-ethyl-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaen-13-yl]-10-hydroxy-5-methoxy-8-methyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
分子属性
- 分子式
- C46H56N4O8
- 分子量
- 793 g/mol
- 精确质量
- 792.40981476 Da
- 单同位素质量
- 792.40981476 Da
- XLogP
- 4
- 极性表面积
- 134 Ų
- 氢键供体
- 2
- 氢键受体
- 11
- 可旋转键
- 10
- 重原子数
- 58
- 净电荷
- 0
- 结构复杂度
- 1710
结构标识
- InChIKey
- FFRFGVHNKJYNOV-ULCYVWNCSA-N
- SMILES
- CCC1=C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC
- InChI
- InChI=1S/C46H56N4O8/c1-8-28-21-29-24-45(41(52)56-6,37-31(15-19-49(25-28)26-29)30-13-10-11-14-34(30)47-37)33-22-32-35(23-36(33)55-5)48(4)39-44(32)17-20-50-18-12-16-43(9-2,38(44)50)40(58-27(3)51)46(39,54)42(53)57-7/h10-14,16,21-23,29,38-40,47,54H,8-9,15,17-20,24-26H2,1-7H3/t29-,38-,39+,40+,43+,44?,45-,46-/m0/s1