22-(2-Methylprop-2-enyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol;hydrochloride
22-(2-Methylprop-2-enyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol;hydrochloride · CAS 342884-71-3
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 22-(2-Methylprop-2-enyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol;hydrochloride
- CAS
- 342884-71-3
- CID
- 78069793
- IUPAC 名称
- 22-(2-methylprop-2-enyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol;hydrochloride
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 22-(2-Methylprop-2-enyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol;hydrochloride
- CAS
- 342884-71-3
- CID
- 78069793
- IUPAC 名称
- 22-(2-methylprop-2-enyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol;hydrochloride
分子属性
- 分子式
- C26H27ClN2O3
- 分子量
- 451 g/mol
- 精确质量
- 450.1710204 Da
- 单同位素质量
- 450.1710204 Da
- XLogP
- 暂无
- 极性表面积
- 68.7 Ų
- 氢键供体
- 4
- 氢键受体
- 4
- 可旋转键
- 2
- 重原子数
- 32
- 净电荷
- 0
- 结构复杂度
- 789
结构标识
- InChIKey
- QLLCUVACGPLGAX-UHFFFAOYSA-N
- SMILES
- CC(=C)CN1CCC23C4C5=C(CC2(C1CC6=C3C(=C(C=C6)O)O4)O)C7=CC=CC=C7N5.Cl
- InChI
- InChI=1S/C26H26N2O3.ClH/c1-14(2)13-28-10-9-25-21-15-7-8-19(29)23(21)31-24(25)22-17(12-26(25,30)20(28)11-15)16-5-3-4-6-18(16)27-22;/h3-8,20,24,27,29-30H,1,9-13H2,2H3;1H