(4R)-4-[(5R,7R,10S,13R,14S,17R)-2,2,4,4-Tetradeuterio-7-hydroxy-10,13-dimethyl-3-oxo-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoicacid
(4R)-4-[(5R,7R,10S,13R,14S,17R)-2,2,4,4-Tetradeuterio-7-hydroxy-10,13-dimethyl-3-oxo-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoicacid · CAS 99102-72-4
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (4R)-4-[(5R,7R,10S,13R,14S,17R)-2,2,4,4-Tetradeuterio-7-hydroxy-10,13-dimethyl-3-oxo-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoicacid
- CAS
- 99102-72-4
- CID
- 131708873
- IUPAC 名称
- (4R)-4-[(5R,7R,8R,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-7-hydroxy-10,13-dimethyl-3-oxo-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- (4R)-4-[(5R,7R,10S,13R,14S,17R)-2,2,4,4-Tetradeuterio-7-hydroxy-10,13-dimethyl-3-oxo-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoicacid
- CAS
- 99102-72-4
- CID
- 131708873
- IUPAC 名称
- (4R)-4-[(5R,7R,8R,9S,10S,13R,14S,17R)-2,2,4,4-tetradeuterio-7-hydroxy-10,13-dimethyl-3-oxo-1,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
分子属性
- 分子式
- C24H38O4
- 分子量
- 394.6 g/mol
- 精确质量
- 394.30211667 Da
- 单同位素质量
- 394.30211667 Da
- XLogP
- 4.5
- 极性表面积
- 74.6 Ų
- 氢键供体
- 2
- 氢键受体
- 4
- 可旋转键
- 4
- 重原子数
- 28
- 净电荷
- 0
- 结构复杂度
- 645
结构标识
- InChIKey
- KNVADAPHVNKTEP-VVEWKFGQSA-N
- SMILES
- [2H]C1(C[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H](C[C@@H]2C(C1=O)([2H])[2H])O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)[2H]
- InChI
- InChI=1S/C24H38O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-15,17-20,22,26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,17-,18+,19+,20-,22+,23+,24-/m1/s1/i8D2,12D2