[6,9-Difluoro-11-hydroxy-17-(iodomethylsulfanylcarbonyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
[6,9-Difluoro-11-hydroxy-17-(iodomethylsulfanylcarbonyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate · CAS 80474-67-5
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [6,9-Difluoro-11-hydroxy-17-(iodomethylsulfanylcarbonyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
- CAS
- 80474-67-5
- CID
- 4589351
- IUPAC 名称
- [6,9-difluoro-11-hydroxy-17-(iodomethylsulfanylcarbonyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [6,9-Difluoro-11-hydroxy-17-(iodomethylsulfanylcarbonyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
- CAS
- 80474-67-5
- CID
- 4589351
- IUPAC 名称
- [6,9-difluoro-11-hydroxy-17-(iodomethylsulfanylcarbonyl)-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] propanoate
分子属性
- 分子式
- C25H31F2IO5S
- 分子量
- 608.5 g/mol
- 精确质量
- 608.0905 Da
- 单同位素质量
- 608.0905 Da
- XLogP
- 4.3
- 极性表面积
- 106 Ų
- 氢键供体
- 1
- 氢键受体
- 8
- 可旋转键
- 6
- 重原子数
- 34
- 净电荷
- 0
- 结构复杂度
- 986
结构标识
- InChIKey
- HKRIRGIBBWVEFV-UHFFFAOYSA-N
- SMILES
- CCC(=O)OC1(C(CC2C1(CC(C3(C2CC(C4=CC(=O)C=CC43C)F)F)O)C)C)C(=O)SCI
- InChI
- InChI=1S/C25H31F2IO5S/c1-5-20(31)33-25(21(32)34-12-28)13(2)8-15-16-10-18(26)17-9-14(29)6-7-22(17,3)24(16,27)19(30)11-23(15,25)4/h6-7,9,13,15-16,18-19,30H,5,8,10-12H2,1-4H3