[(6R,8R,9S,10R,13S,14S,17S)-6-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
[(6R,8R,9S,10R,13S,14S,17S)-6-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate · CAS 4223-43-2
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [(6R,8R,9S,10R,13S,14S,17S)-6-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
- CAS
- 4223-43-2
- CID
- 15341771
- IUPAC 名称
- [(6R,8R,9S,10R,13S,14S,17S)-6-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [(6R,8R,9S,10R,13S,14S,17S)-6-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
- CAS
- 4223-43-2
- CID
- 15341771
- IUPAC 名称
- [(6R,8R,9S,10R,13S,14S,17S)-6-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] acetate
分子属性
- 分子式
- C21H30O4
- 分子量
- 346.5 g/mol
- 精确质量
- 346.21440943 Da
- 单同位素质量
- 346.21440943 Da
- XLogP
- 2.6
- 极性表面积
- 63.6 Ų
- 氢键供体
- 1
- 氢键受体
- 4
- 可旋转键
- 2
- 重原子数
- 25
- 净电荷
- 0
- 结构复杂度
- 638
结构标识
- InChIKey
- UKUUABXIPHZRPY-UKSDXMLSSA-N
- SMILES
- CC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@H](C4=CC(=O)CC[C@]34C)O)C
- InChI
- InChI=1S/C21H30O4/c1-12(22)25-19-5-4-15-14-11-18(24)17-10-13(23)6-8-20(17,2)16(14)7-9-21(15,19)3/h10,14-16,18-19,24H,4-9,11H2,1-3H3/t14-,15-,16-,18+,19-,20+,21-/m0/s1