[(1S,2S,5S,7R,8R)-7-hydroxy-1,5-dimethyl-8-[2-[(1S,2R,3S,7R,10S,13S,14R)-1-methyl-14-propan-2-yl-12-azapentacyclo[8.6.0.02,13.03,7.07,12]hexadecan-2-yl]ethyl]-6-oxabicyclo[3.2.1]octan-2-yl] acetate
[(1S,2S,5S,7R,8R)-7-hydroxy-1,5-dimethyl-8-[2-[(1S,2R,3S,7R,10S,13S,14R)-1-methyl-14-propan-2-yl-12-azapentacyclo[8.6.0.02,13.03,7.07,12]hexadecan-2-yl]ethyl]-6-oxabicyclo[3.2.1]octan-2-yl] acetate · CAS 39729-21-0
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [(1S,2S,5S,7R,8R)-7-hydroxy-1,5-dimethyl-8-[2-[(1S,2R,3S,7R,10S,13S,14R)-1-methyl-14-propan-2-yl-12-azapentacyclo[8.6.0.02,13.03,7.07,12]hexadecan-2-yl]ethyl]-6-oxabicyclo[3.2.1]octan-2-yl] acetate
- CAS
- 39729-21-0
- CID
- 91885187
- IUPAC 名称
- [(1S,2S,5S,7R,8R)-7-hydroxy-1,5-dimethyl-8-[2-[(1S,2R,3S,7R,10S,13S,14R)-1-methyl-14-propan-2-yl-12-azapentacyclo[8.6.0.02,13.03,7.07,12]hexadecan-2-yl]ethyl]-6-oxabicyclo[3.2.1]octan-2-yl] acetate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [(1S,2S,5S,7R,8R)-7-hydroxy-1,5-dimethyl-8-[2-[(1S,2R,3S,7R,10S,13S,14R)-1-methyl-14-propan-2-yl-12-azapentacyclo[8.6.0.02,13.03,7.07,12]hexadecan-2-yl]ethyl]-6-oxabicyclo[3.2.1]octan-2-yl] acetate
- CAS
- 39729-21-0
- CID
- 91885187
- IUPAC 名称
- [(1S,2S,5S,7R,8R)-7-hydroxy-1,5-dimethyl-8-[2-[(1S,2R,3S,7R,10S,13S,14R)-1-methyl-14-propan-2-yl-12-azapentacyclo[8.6.0.02,13.03,7.07,12]hexadecan-2-yl]ethyl]-6-oxabicyclo[3.2.1]octan-2-yl] acetate
分子属性
- 分子式
- C32H51NO4
- 分子量
- 513.8 g/mol
- 精确质量
- 513.38180911 Da
- 单同位素质量
- 513.38180911 Da
- XLogP
- 6.1
- 极性表面积
- 59 Ų
- 氢键供体
- 1
- 氢键受体
- 5
- 可旋转键
- 6
- 重原子数
- 37
- 净电荷
- 0
- 结构复杂度
- 984
结构标识
- InChIKey
- QCDMEBFUPVLRNE-CDRMYCHRSA-N
- SMILES
- CC(C)[C@H]1CC[C@]2([C@@H]3CC[C@]45CCC[C@H]4[C@]2([C@H]1N5C3)CC[C@H]6[C@@]7(CC[C@@H]([C@]6([C@@H](O7)O)C)OC(=O)C)C)C
- InChI
- InChI=1S/C32H51NO4/c1-19(2)22-10-14-28(4)21-9-16-31-13-7-8-24(31)32(28,26(22)33(31)18-21)17-11-23-29(5)15-12-25(36-20(3)34)30(23,6)27(35)37-29/h19,21-27,35H,7-18H2,1-6H3/t21-,22-,23+,24-,25+,26+,27-,28+,29+,30+,31-,32+/m1/s1