1-(17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl hydrogen sulfate
1-(17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl hydrogen sulfate · CAS 138949-80-1
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 1-(17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl hydrogen sulfate
- CAS
- 138949-80-1
- CID
- 4086221
- IUPAC 名称
- 1-(17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl hydrogen sulfate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 1-(17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl hydrogen sulfate
- CAS
- 138949-80-1
- CID
- 4086221
- IUPAC 名称
- 1-(17-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl hydrogen sulfate
分子属性
- 分子式
- C21H32O6S
- 分子量
- 412.5 g/mol
- 精确质量
- 412.19195991 Da
- 单同位素质量
- 412.19195991 Da
- XLogP
- 2.4
- 极性表面积
- 109 Ų
- 氢键供体
- 2
- 氢键受体
- 6
- 可旋转键
- 3
- 重原子数
- 28
- 净电荷
- 0
- 结构复杂度
- 813
结构标识
- InChIKey
- ICFRLXUMZOYPOT-UHFFFAOYSA-N
- SMILES
- CC(C1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O)OS(=O)(=O)O
- InChI
- InChI=1S/C21H32O6S/c1-13(27-28(24,25)26)21(23)11-8-18-16-5-4-14-12-15(22)6-9-19(14,2)17(16)7-10-20(18,21)3/h12-13,16-18,23H,4-11H2,1-3H3,(H,24,25,26)