3beta-Hydroxy-2beta,16beta-dipiperidino-5-alpha-androstan-17-one
3beta-Hydroxy-2beta,16beta-dipiperidino-5-alpha-androstan-17-one · CAS 13522-14-0
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 3beta-Hydroxy-2beta,16beta-dipiperidino-5-alpha-androstan-17-one
- CAS
- 13522-14-0
- CID
- 114656
- IUPAC 名称
- (2S,3S,5S,8R,9S,10S,13S,14S,16S)-3-hydroxy-10,13-dimethyl-2,16-di(piperidin-1-yl)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 3beta-Hydroxy-2beta,16beta-dipiperidino-5-alpha-androstan-17-one
- CAS
- 13522-14-0
- CID
- 114656
- IUPAC 名称
- (2S,3S,5S,8R,9S,10S,13S,14S,16S)-3-hydroxy-10,13-dimethyl-2,16-di(piperidin-1-yl)-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
分子属性
- 分子式
- C29H48N2O2
- 分子量
- 456.7 g/mol
- 精确质量
- 456.37157878 Da
- 单同位素质量
- 456.37157878 Da
- XLogP
- 5.5
- 极性表面积
- 43.8 Ų
- 氢键供体
- 1
- 氢键受体
- 4
- 可旋转键
- 2
- 重原子数
- 33
- 净电荷
- 0
- 结构复杂度
- 744
结构标识
- InChIKey
- KUCISTFXMDQUHG-XMTFRXHISA-N
- SMILES
- C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H](C2=O)N4CCCCC4)CC[C@@H]5[C@@]3(C[C@@H]([C@H](C5)O)N6CCCCC6)C
- InChI
- InChI=1S/C29H48N2O2/c1-28-12-11-22-21(23(28)18-24(27(28)33)30-13-5-3-6-14-30)10-9-20-17-26(32)25(19-29(20,22)2)31-15-7-4-8-16-31/h20-26,32H,3-19H2,1-2H3/t20-,21+,22-,23-,24-,25-,26-,28-,29-/m0/s1