[(1S,2S,3R,4S,7R,8S,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoyl]oxy-1,8,9-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
[(1S,2S,3R,4S,7R,8S,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoyl]oxy-1,8,9-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate · CAS 165065-08-7
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [(1S,2S,3R,4S,7R,8S,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoyl]oxy-1,8,9-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
- CAS
- 165065-08-7
- CID
- 11062053
- IUPAC 名称
- [(1S,2S,3R,4S,7R,8S,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoyl]oxy-1,8,9-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [(1S,2S,3R,4S,7R,8S,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoyl]oxy-1,8,9-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
- CAS
- 165065-08-7
- CID
- 11062053
- IUPAC 名称
- [(1S,2S,3R,4S,7R,8S,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-benzamido-2-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropanoyl]oxy-1,8,9-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
分子属性
- 分子式
- C53H65NO15Si
- 分子量
- 984.2 g/mol
- 精确质量
- 983.4123469 Da
- 单同位素质量
- 983.4123469 Da
- XLogP
- 暂无
- 极性表面积
- 231 Ų
- 氢键供体
- 4
- 氢键受体
- 15
- 可旋转键
- 17
- 重原子数
- 70
- 净电荷
- 0
- 结构复杂度
- 2050
结构标识
- InChIKey
- ACJHNDYFTFXEOF-QTYAFJNESA-N
- SMILES
- CC1=C2[C@H](C(=O)[C@]3([C@H]([C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C4=CC=CC=C4)NC(=O)C5=CC=CC=C5)O[Si](C)(C)C(C)(C)C)O)OC(=O)C6=CC=CC=C6)[C@@]7(CO[C@@H]7[C@H]([C@H]3O)O)OC(=O)C)C)OC(=O)C
- InChI
- InChI=1S/C53H65NO15Si/c1-29-35(66-48(62)40(69-70(10,11)49(4,5)6)37(32-21-15-12-16-22-32)54-46(60)33-23-17-13-18-24-33)27-53(63)45(67-47(61)34-25-19-14-20-26-34)41-51(9,43(59)39(65-30(2)55)36(29)50(53,7)8)42(58)38(57)44-52(41,28-64-44)68-31(3)56/h12-26,35,37-42,44-45,57-58,63H,27-28H2,1-11H3,(H,54,60)/t35-,37-,38-,39+,40+,41-,42+,44+,45-,51-,52+,53+/m0/s1