(1,10,11,12,14,23-Hexahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo(12.12.0.02,11.04,9.015,25.018,23.019,25)hexacosan-22-yl) 2-methylbut-2-enoate
(1,10,11,12,14,23-Hexahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo(12.12.0.02,11.04,9.015,25.018,23.019,25)hexacosan-22-yl) 2-methylbut-2-enoate · CAS 8051-02-3
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (1,10,11,12,14,23-Hexahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo(12.12.0.02,11.04,9.015,25.018,23.019,25)hexacosan-22-yl) 2-methylbut-2-enoate
- CAS
- 8051-02-3
- CID
- 5658
- IUPAC 名称
- (1,10,11,12,14,23-hexahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl) 2-methylbut-2-enoate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (1,10,11,12,14,23-Hexahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo(12.12.0.02,11.04,9.015,25.018,23.019,25)hexacosan-22-yl) 2-methylbut-2-enoate
- CAS
- 8051-02-3
- CID
- 5658
- IUPAC 名称
- (1,10,11,12,14,23-hexahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl) 2-methylbut-2-enoate
分子属性
- 分子式
- C32H49NO9
- 分子量
- 591.7 g/mol
- 精确质量
- 591.34073214 Da
- 单同位素质量
- 591.34073214 Da
- XLogP
- 0.6
- 极性表面积
- 160 Ų
- 氢键供体
- 6
- 氢键受体
- 10
- 可旋转键
- 3
- 重原子数
- 42
- 净电荷
- 0
- 结构复杂度
- 1230
结构标识
- InChIKey
- DBUCFOVFALNEOO-UHFFFAOYSA-N
- SMILES
- CC=C(C)C(=O)OC1CCC2(C3C1(OC24CC5(C6CN7CC(CCC7C(C6(C(CC5(C4CC3)O)O)O)(C)O)C)O)O)C
- InChI
- InChI=1S/C32H49NO9/c1-6-18(3)25(35)41-24-11-12-26(4)19-8-9-20-28(37)13-23(34)31(39)21(29(28,38)16-30(20,26)42-32(19,24)40)15-33-14-17(2)7-10-22(33)27(31,5)36/h6,17,19-24,34,36-40H,7-16H2,1-5H3