[2-Chloro-10,13-dimethyl-3-(4-nitrophenoxy)imino-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate
[2-Chloro-10,13-dimethyl-3-(4-nitrophenoxy)imino-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate · CAS 51354-31-5
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [2-Chloro-10,13-dimethyl-3-(4-nitrophenoxy)imino-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate
- CAS
- 51354-31-5
- CID
- 39990
- IUPAC 名称
- [2-chloro-10,13-dimethyl-3-(4-nitrophenoxy)imino-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [2-Chloro-10,13-dimethyl-3-(4-nitrophenoxy)imino-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate
- CAS
- 51354-31-5
- CID
- 39990
- IUPAC 名称
- [2-chloro-10,13-dimethyl-3-(4-nitrophenoxy)imino-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl] acetate
分子属性
- 分子式
- C27H35ClN2O5
- 分子量
- 503 g/mol
- 精确质量
- 502.2234499 Da
- 单同位素质量
- 502.2234499 Da
- XLogP
- 7
- 极性表面积
- 93.7 Ų
- 氢键供体
- 0
- 氢键受体
- 6
- 可旋转键
- 4
- 重原子数
- 35
- 净电荷
- 0
- 结构复杂度
- 868
结构标识
- InChIKey
- NNFGKFKPLQYECP-UHFFFAOYSA-N
- SMILES
- CC(=O)OC1CCC2C1(CCC3C2CCC4C3(CC(C(=NOC5=CC=C(C=C5)[N+](=O)[O-])C4)Cl)C)C
- InChI
- InChI=1S/C27H35ClN2O5/c1-16(31)34-25-11-10-21-20-9-4-17-14-24(29-35-19-7-5-18(6-8-19)30(32)33)23(28)15-27(17,3)22(20)12-13-26(21,25)2/h5-8,17,20-23,25H,4,9-15H2,1-3H3