Pubchem_71751866
Pubchem_71751866 · CAS 163597-04-4
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Pubchem_71751866
- CAS
- 163597-04-4
- CID
- 71751866
- IUPAC 名称
- (1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-10-[(1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-11-hydroxy-16-(2-hydroxy-3,3-dimethylbutan-2-yl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8,10,12(20)-trien-10-yl]-16-(2-hydroxy-3,3-dimethylbutan-2-yl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8,10,12(20)-trien-11-ol
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- Pubchem_71751866
- CAS
- 163597-04-4
- CID
- 71751866
- IUPAC 名称
- (1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-10-[(1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-11-hydroxy-16-(2-hydroxy-3,3-dimethylbutan-2-yl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8,10,12(20)-trien-10-yl]-16-(2-hydroxy-3,3-dimethylbutan-2-yl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8,10,12(20)-trien-11-ol
分子属性
- 分子式
- C58H80N2O8
- 分子量
- 933.3 g/mol
- 精确质量
- 932.59146751 Da
- 单同位素质量
- 932.59146751 Da
- XLogP
- 9.2
- 极性表面积
- 124 Ų
- 氢键供体
- 4
- 氢键受体
- 10
- 可旋转键
- 11
- 重原子数
- 68
- 净电荷
- 0
- 结构复杂度
- 1940
结构标识
- InChIKey
- IIKJUPFUFVJKHV-BFVCJTJTSA-N
- SMILES
- CC(C)(C)C(C)([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=CC(=C(C(=C56)O4)O)C7=C(C8=C9C(=C7)C[C@@H]1[C@@]23[C@]9(CCN1CC1CC1)[C@@H](O8)[C@@](CC2)([C@H](C3)C(C)(C(C)(C)C)O)OC)O)CC1CC1)OC)O
- InChI
- InChI=1S/C58H80N2O8/c1-49(2,3)51(7,63)37-27-53-15-17-57(37,65-9)47-55(53)19-21-59(29-31-11-12-31)39(53)25-33-23-35(43(61)45(67-47)41(33)55)36-24-34-26-40-54-16-18-58(66-10,38(28-54)52(8,64)50(4,5)6)48-56(54,42(34)46(68-48)44(36)62)20-22-60(40)30-32-13-14-32/h23-24,31-32,37-40,47-48,61-64H,11-22,25-30H2,1-10H3/t37-,38-,39-,40-,47-,48-,51?,52?,53-,54-,55+,56+,57-,58-/m1/s1