5-O-[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1-hydroxy-9,12-dimethoxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] 3-O-tert-butyl (4S,5R)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate
5-O-[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1-hydroxy-9,12-dimethoxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] 3-O-tert-butyl (4S,5R)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate · CAS 1354900-66-5
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 5-O-[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1-hydroxy-9,12-dimethoxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] 3-O-tert-butyl (4S,5R)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate
- CAS
- 1354900-66-5
- CID
- 71623231
- IUPAC 名称
- 5-O-[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1-hydroxy-9,12-dimethoxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] 3-O-tert-butyl (4S,5R)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- 5-O-[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1-hydroxy-9,12-dimethoxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] 3-O-tert-butyl (4S,5R)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate
- CAS
- 1354900-66-5
- CID
- 71623231
- IUPAC 名称
- 5-O-[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-1-hydroxy-9,12-dimethoxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] 3-O-tert-butyl (4S,5R)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate
分子属性
- 分子式
- C53H63NO15
- 分子量
- 954.1 g/mol
- 精确质量
- 953.4197703 Da
- 单同位素质量
- 953.4197703 Da
- XLogP
- 6
- 极性表面积
- 192 Ų
- 氢键供体
- 1
- 氢键受体
- 15
- 可旋转键
- 15
- 重原子数
- 69
- 净电荷
- 0
- 结构复杂度
- 1980
结构标识
- InChIKey
- JWINQNOFPOPSDF-BUPOHIIBSA-N
- SMILES
- CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@H]5[C@@H](N(C(O5)C6=CC=C(C=C6)OC)C(=O)OC(C)(C)C)C7=CC=CC=C7)O)OC(=O)C8=CC=CC=C8)(CO4)OC(=O)C)OC)C)OC
- InChI
- InChI=1S/C53H63NO15/c1-29-35(65-47(58)41-39(31-18-14-12-15-19-31)54(48(59)69-49(3,4)5)45(66-41)32-22-24-34(61-9)25-23-32)27-53(60)44(67-46(57)33-20-16-13-17-21-33)42-51(8,43(56)40(63-11)38(29)50(53,6)7)36(62-10)26-37-52(42,28-64-37)68-30(2)55/h12-25,35-37,39-42,44-45,60H,26-28H2,1-11H3/t35-,36-,37+,39-,40+,41+,42-,44-,45?,51+,52-,53+/m0/s1