(3S,7R,10R,13S)-7-Hydroxy-10,13-dimethyl-17-oxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
(3S,7R,10R,13S)-7-Hydroxy-10,13-dimethyl-17-oxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate · CAS 37976-96-8
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (3S,7R,10R,13S)-7-Hydroxy-10,13-dimethyl-17-oxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
- CAS
- 37976-96-8
- CID
- 10247053
- IUPAC 名称
- [(3S,7R,10R,13S)-7-hydroxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] acetate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (3S,7R,10R,13S)-7-Hydroxy-10,13-dimethyl-17-oxo-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
- CAS
- 37976-96-8
- CID
- 10247053
- IUPAC 名称
- [(3S,7R,10R,13S)-7-hydroxy-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-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
- 2.7
- 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
- ROQJNRDLUNFGNK-HMBGTBGNSA-N
- SMILES
- CC(=O)O[C@H]1CC[C@@]2(C3CC[C@]4(C(C3[C@H](C=C2C1)O)CCC4=O)C)C
- InChI
- InChI=1S/C21H30O4/c1-12(22)25-14-6-8-20(2)13(10-14)11-17(23)19-15-4-5-18(24)21(15,3)9-7-16(19)20/h11,14-17,19,23H,4-10H2,1-3H3/t14-,15?,16?,17-,19?,20-,21-/m0/s1