Dehydro Rifaximin
Dehydro Rifaximin · CAS 80621-76-7
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Dehydro Rifaximin
- CAS
- 80621-76-7
- CID
- 13002733
- IUPAC 名称
- [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22,30-octamethyl-6,23,36-trioxo-8,37-dioxa-24,27,33-triazahexacyclo[23.10.1.14,7.05,35.026,34.027,32]heptatriaconta-1(35),2,4,9,19,21,24,26(34),28,30,32-undecaen-13-yl] acetate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Dehydro Rifaximin
- CAS
- 80621-76-7
- CID
- 13002733
- IUPAC 名称
- [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22,30-octamethyl-6,23,36-trioxo-8,37-dioxa-24,27,33-triazahexacyclo[23.10.1.14,7.05,35.026,34.027,32]heptatriaconta-1(35),2,4,9,19,21,24,26(34),28,30,32-undecaen-13-yl] acetate
分子属性
- 分子式
- C43H49N3O11
- 分子量
- 783.9 g/mol
- 精确质量
- 783.33670939 Da
- 单同位素质量
- 783.33670939 Da
- XLogP
- 6.3
- 极性表面积
- 196 Ų
- 氢键供体
- 3
- 氢键受体
- 12
- 可旋转键
- 3
- 重原子数
- 57
- 净电荷
- 0
- 结构复杂度
- 1690
结构标识
- InChIKey
- UIQBVIBLPYSOHX-GEOWOUTJSA-N
- SMILES
- C[C@H]1/C=C/C=C(\C(=O)N=C2C3=C(C4=C(C2=O)C(=C(C5=C4C(=O)[C@](O5)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)N=C6N3C=CC(=C6)C)/C
- InChI
- InChI=1S/C43H49N3O11/c1-19-14-16-46-28(18-19)44-32-29-30-37(50)25(7)40-31(29)41(52)43(9,57-40)55-17-15-27(54-10)22(4)39(56-26(8)47)24(6)36(49)23(5)35(48)20(2)12-11-13-21(3)42(53)45-33(34(32)46)38(30)51/h11-18,20,22-24,27,35-36,39,48-50H,1-10H3/b12-11+,17-15+,21-13-,45-33?/t20-,22+,23+,24+,27-,35-,36+,39+,43-/m0/s1