N-[3-(dimethylamino)propyl]-4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamide
N-[3-(dimethylamino)propyl]-4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamide · CAS 76555-98-1
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- N-[3-(dimethylamino)propyl]-4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamide
- CAS
- 76555-98-1
- CID
- 3360825
- IUPAC 名称
- N-[3-(dimethylamino)propyl]-4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamide
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- N-[3-(dimethylamino)propyl]-4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamide
- CAS
- 76555-98-1
- CID
- 3360825
- IUPAC 名称
- N-[3-(dimethylamino)propyl]-4-(3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanamide
分子属性
- 分子式
- C29H52N2O4
- 分子量
- 492.7 g/mol
- 精确质量
- 492.39270814 Da
- 单同位素质量
- 492.39270814 Da
- XLogP
- 3.7
- 极性表面积
- 93 Ų
- 氢键供体
- 4
- 氢键受体
- 5
- 可旋转键
- 8
- 重原子数
- 35
- 净电荷
- 0
- 结构复杂度
- 746
结构标识
- InChIKey
- CLOVEIUMHBMREZ-UHFFFAOYSA-N
- SMILES
- CC(CCC(=O)NCCCN(C)C)C1CCC2C1(C(CC3C2C(CC4C3(CCC(C4)O)C)O)O)C
- InChI
- InChI=1S/C29H52N2O4/c1-18(7-10-26(35)30-13-6-14-31(4)5)21-8-9-22-27-23(17-25(34)29(21,22)3)28(2)12-11-20(32)15-19(28)16-24(27)33/h18-25,27,32-34H,6-17H2,1-5H3,(H,30,35)