2-[(17-Acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene)amino]oxyacetic acid
2-[(17-Acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene)amino]oxyacetic acid · CAS 50909-89-2
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 2-[(17-Acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene)amino]oxyacetic acid
- CAS
- 50909-89-2
- CID
- 3814087
- IUPAC 名称
- 2-[(17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene)amino]oxyacetic acid
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 2-[(17-Acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene)amino]oxyacetic acid
- CAS
- 50909-89-2
- CID
- 3814087
- IUPAC 名称
- 2-[(17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene)amino]oxyacetic acid
分子属性
- 分子式
- C23H33NO4
- 分子量
- 387.5 g/mol
- 精确质量
- 387.24095853 Da
- 单同位素质量
- 387.24095853 Da
- XLogP
- 4
- 极性表面积
- 76 Ų
- 氢键供体
- 1
- 氢键受体
- 5
- 可旋转键
- 4
- 重原子数
- 28
- 净电荷
- 0
- 结构复杂度
- 741
结构标识
- InChIKey
- PPELYUTTZHLIAZ-UHFFFAOYSA-N
- SMILES
- CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=NOCC(=O)O)CCC34C)C
- InChI
- InChI=1S/C23H33NO4/c1-14(25)18-6-7-19-17-5-4-15-12-16(24-28-13-21(26)27)8-10-22(15,2)20(17)9-11-23(18,19)3/h12,17-20H,4-11,13H2,1-3H3,(H,26,27)