[(1R,2S,5S,7S,8E,10R,13S)-2,7,9,10,13-pentaacetyloxy-5-hydroxy-8,12,15,15-tetramethyl-4-bicyclo[9.3.1]pentadeca-3,8,11-trienyl]methyl acetate
[(1R,2S,5S,7S,8E,10R,13S)-2,7,9,10,13-pentaacetyloxy-5-hydroxy-8,12,15,15-tetramethyl-4-bicyclo[9.3.1]pentadeca-3,8,11-trienyl]methyl acetate · CAS 167906-74-3
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [(1R,2S,5S,7S,8E,10R,13S)-2,7,9,10,13-pentaacetyloxy-5-hydroxy-8,12,15,15-tetramethyl-4-bicyclo[9.3.1]pentadeca-3,8,11-trienyl]methyl acetate
- CAS
- 167906-74-3
- CID
- 5321640
- IUPAC 名称
- [(1R,2S,5S,7S,8E,10R,13S)-2,7,9,10,13-pentaacetyloxy-5-hydroxy-8,12,15,15-tetramethyl-4-bicyclo[9.3.1]pentadeca-3,8,11-trienyl]methyl acetate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [(1R,2S,5S,7S,8E,10R,13S)-2,7,9,10,13-pentaacetyloxy-5-hydroxy-8,12,15,15-tetramethyl-4-bicyclo[9.3.1]pentadeca-3,8,11-trienyl]methyl acetate
- CAS
- 167906-74-3
- CID
- 5321640
- IUPAC 名称
- [(1R,2S,5S,7S,8E,10R,13S)-2,7,9,10,13-pentaacetyloxy-5-hydroxy-8,12,15,15-tetramethyl-4-bicyclo[9.3.1]pentadeca-3,8,11-trienyl]methyl acetate
分子属性
- 分子式
- C32H44O13
- 分子量
- 636.7 g/mol
- 精确质量
- 636.27819145 Da
- 单同位素质量
- 636.27819145 Da
- XLogP
- 0.6
- 极性表面积
- 178 Ų
- 氢键供体
- 1
- 氢键受体
- 13
- 可旋转键
- 13
- 重原子数
- 45
- 净电荷
- 0
- 结构复杂度
- 1300
结构标识
- InChIKey
- PWYWKQLSVHAYNO-MGTRVLIWSA-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)OC(=O)C)COC(=O)C)O)OC(=O)C)/C)/OC(=O)C)OC(=O)C
- InChI
- InChI=1S/C32H44O13/c1-15-26(41-18(4)34)12-24-28(43-20(6)36)11-23(14-40-17(3)33)25(39)13-27(42-19(5)35)16(2)30(44-21(7)37)31(45-22(8)38)29(15)32(24,9)10/h11,24-28,31,39H,12-14H2,1-10H3/b23-11?,30-16+/t24-,25-,26-,27-,28-,31+/m0/s1