Methyl 3beta-Amino-7alpha,12alpha-dihydroxy-5beta-cholan-24-oate
Methyl 3beta-Amino-7alpha,12alpha-dihydroxy-5beta-cholan-24-oate · CAS 135053-62-2
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Methyl 3beta-Amino-7alpha,12alpha-dihydroxy-5beta-cholan-24-oate
- CAS
- 135053-62-2
- CID
- 10364902
- IUPAC 名称
- methyl (4R)-4-[(3S,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3-amino-7,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Methyl 3beta-Amino-7alpha,12alpha-dihydroxy-5beta-cholan-24-oate
- CAS
- 135053-62-2
- CID
- 10364902
- IUPAC 名称
- methyl (4R)-4-[(3S,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3-amino-7,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
分子属性
- 分子式
- C25H43NO4
- 分子量
- 421.6 g/mol
- 精确质量
- 421.31920885 Da
- 单同位素质量
- 421.31920885 Da
- XLogP
- 3.6
- 极性表面积
- 92.8 Ų
- 氢键供体
- 3
- 氢键受体
- 5
- 可旋转键
- 5
- 重原子数
- 30
- 净电荷
- 0
- 结构复杂度
- 655
结构标识
- InChIKey
- AVHAEQZRKMRLKH-RMPHWFMRSA-N
- SMILES
- C[C@H](CCC(=O)OC)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@@H](C4)N)C)O)O)C
- InChI
- InChI=1S/C25H43NO4/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-21,23,27-28H,5-13,26H2,1-4H3/t14-,15+,16+,17-,18+,19+,20-,21+,23+,24+,25-/m1/s1