[(1R,2S,3E,5S,7S,8Z,10R,13S)-7,9,10,13-tetraacetyloxy-4-(acetyloxymethyl)-2-hydroxy-8,12,15,15-tetramethyl-5-bicyclo[9.3.1]pentadeca-3,8,11-trienyl] (E)-3-phenylprop-2-enoate
[(1R,2S,3E,5S,7S,8Z,10R,13S)-7,9,10,13-tetraacetyloxy-4-(acetyloxymethyl)-2-hydroxy-8,12,15,15-tetramethyl-5-bicyclo[9.3.1]pentadeca-3,8,11-trienyl] (E)-3-phenylprop-2-enoate · CAS 259678-73-4
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [(1R,2S,3E,5S,7S,8Z,10R,13S)-7,9,10,13-tetraacetyloxy-4-(acetyloxymethyl)-2-hydroxy-8,12,15,15-tetramethyl-5-bicyclo[9.3.1]pentadeca-3,8,11-trienyl] (E)-3-phenylprop-2-enoate
- CAS
- 259678-73-4
- CID
- 125181764
- IUPAC 名称
- [(1R,2S,3E,5S,7S,8Z,10R,13S)-7,9,10,13-tetraacetyloxy-4-(acetyloxymethyl)-2-hydroxy-8,12,15,15-tetramethyl-5-bicyclo[9.3.1]pentadeca-3,8,11-trienyl] (E)-3-phenylprop-2-enoate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [(1R,2S,3E,5S,7S,8Z,10R,13S)-7,9,10,13-tetraacetyloxy-4-(acetyloxymethyl)-2-hydroxy-8,12,15,15-tetramethyl-5-bicyclo[9.3.1]pentadeca-3,8,11-trienyl] (E)-3-phenylprop-2-enoate
- CAS
- 259678-73-4
- CID
- 125181764
- IUPAC 名称
- [(1R,2S,3E,5S,7S,8Z,10R,13S)-7,9,10,13-tetraacetyloxy-4-(acetyloxymethyl)-2-hydroxy-8,12,15,15-tetramethyl-5-bicyclo[9.3.1]pentadeca-3,8,11-trienyl] (E)-3-phenylprop-2-enoate
分子属性
- 分子式
- C39H48O13
- 分子量
- 724.8 g/mol
- 精确质量
- 724.30949158 Da
- 单同位素质量
- 724.30949158 Da
- XLogP
- 2.6
- 极性表面积
- 178 Ų
- 氢键供体
- 1
- 氢键受体
- 13
- 可旋转键
- 15
- 重原子数
- 52
- 净电荷
- 0
- 结构复杂度
- 1510
结构标识
- InChIKey
- QYFRCODLYCJJNA-IRKKXACWSA-N
- SMILES
- CC1=C2[C@H](/C(=C(/[C@H](C[C@@H](/C(=C/[C@@H]([C@@H](C2(C)C)C[C@@H]1OC(=O)C)O)/COC(=O)C)OC(=O)/C=C/C3=CC=CC=C3)OC(=O)C)\C)/OC(=O)C)OC(=O)C
- InChI
- InChI=1S/C39H48O13/c1-21-32(48-24(4)41)18-30-31(45)17-29(20-47-23(3)40)34(52-35(46)16-15-28-13-11-10-12-14-28)19-33(49-25(5)42)22(2)37(50-26(6)43)38(51-27(7)44)36(21)39(30,8)9/h10-17,30-34,38,45H,18-20H2,1-9H3/b16-15+,29-17+,37-22-/t30-,31-,32-,33-,34-,38+/m0/s1