2-((4R)-4-((3R,5R,6S,7R,10R,13R)-3,6,7-Trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[A]phenanthren-17-YL)pentanamido)acetic acid
2-((4R)-4-((3R,5R,6S,7R,10R,13R)-3,6,7-Trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[A]phenanthren-17-YL)pentanamido)acetic acid · CAS 66225-78-3
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 2-((4R)-4-((3R,5R,6S,7R,10R,13R)-3,6,7-Trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[A]phenanthren-17-YL)pentanamido)acetic acid
- CAS
- 66225-78-3
- CID
- 131675923
- IUPAC 名称
- 2-[[(4R)-4-[(3R,5R,6S,7R,10R,13R)-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 2-((4R)-4-((3R,5R,6S,7R,10R,13R)-3,6,7-Trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[A]phenanthren-17-YL)pentanamido)acetic acid
- CAS
- 66225-78-3
- CID
- 131675923
- IUPAC 名称
- 2-[[(4R)-4-[(3R,5R,6S,7R,10R,13R)-3,6,7-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
分子属性
- 分子式
- C26H43NO6
- 分子量
- 465.6 g/mol
- 精确质量
- 465.30903809 Da
- 单同位素质量
- 465.30903809 Da
- XLogP
- 3.3
- 极性表面积
- 127 Ų
- 氢键供体
- 5
- 氢键受体
- 6
- 可旋转键
- 6
- 重原子数
- 33
- 净电荷
- 0
- 结构复杂度
- 759
结构标识
- InChIKey
- ZQYUKJFJPJDMMR-DLUUSONCSA-N
- SMILES
- C[C@H](CCC(=O)NCC(=O)O)C1CCC2[C@@]1(CCC3C2[C@H]([C@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C
- InChI
- InChI=1S/C26H43NO6/c1-14(4-7-20(29)27-13-21(30)31)16-5-6-17-22-18(9-11-25(16,17)2)26(3)10-8-15(28)12-19(26)23(32)24(22)33/h14-19,22-24,28,32-33H,4-13H2,1-3H3,(H,27,29)(H,30,31)/t14-,15-,16?,17?,18?,19+,22?,23+,24-,25-,26-/m1/s1