[(2R,3Z,5S,7S,10S,11R,13S)-2,3,5,10-tetraacetyloxy-7-hydroxy-8-(hydroxymethyl)-4,14,15,15-tetramethyl-13-bicyclo[9.3.1]pentadeca-1(14),3,8-trienyl] acetate
[(2R,3Z,5S,7S,10S,11R,13S)-2,3,5,10-tetraacetyloxy-7-hydroxy-8-(hydroxymethyl)-4,14,15,15-tetramethyl-13-bicyclo[9.3.1]pentadeca-1(14),3,8-trienyl] acetate · CAS 220384-17-8
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [(2R,3Z,5S,7S,10S,11R,13S)-2,3,5,10-tetraacetyloxy-7-hydroxy-8-(hydroxymethyl)-4,14,15,15-tetramethyl-13-bicyclo[9.3.1]pentadeca-1(14),3,8-trienyl] acetate
- CAS
- 220384-17-8
- CID
- 6325029
- IUPAC 名称
- [(2R,3Z,5S,7S,10S,11R,13S)-2,3,5,10-tetraacetyloxy-7-hydroxy-8-(hydroxymethyl)-4,14,15,15-tetramethyl-13-bicyclo[9.3.1]pentadeca-1(14),3,8-trienyl] acetate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [(2R,3Z,5S,7S,10S,11R,13S)-2,3,5,10-tetraacetyloxy-7-hydroxy-8-(hydroxymethyl)-4,14,15,15-tetramethyl-13-bicyclo[9.3.1]pentadeca-1(14),3,8-trienyl] acetate
- CAS
- 220384-17-8
- CID
- 6325029
- IUPAC 名称
- [(2R,3Z,5S,7S,10S,11R,13S)-2,3,5,10-tetraacetyloxy-7-hydroxy-8-(hydroxymethyl)-4,14,15,15-tetramethyl-13-bicyclo[9.3.1]pentadeca-1(14),3,8-trienyl] acetate
分子属性
- 分子式
- C30H42O12
- 分子量
- 594.6 g/mol
- 精确质量
- 594.26762677 Da
- 单同位素质量
- 594.26762677 Da
- XLogP
- 0.5
- 极性表面积
- 172 Ų
- 氢键供体
- 2
- 氢键受体
- 12
- 可旋转键
- 11
- 重原子数
- 42
- 净电荷
- 0
- 结构复杂度
- 1190
结构标识
- InChIKey
- USDGRBIQBGVGOS-GTDSJCBHSA-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)CO)O)OC(=O)C)\C)/OC(=O)C)OC(=O)C
- InChI
- InChI=1S/C30H42O12/c1-14-24(38-16(3)32)11-22-26(40-18(5)34)10-21(13-31)23(37)12-25(39-17(4)33)15(2)28(41-19(6)35)29(42-20(7)36)27(14)30(22,8)9/h10,22-26,29,31,37H,11-13H2,1-9H3/b21-10?,28-15-/t22-,23-,24-,25-,26-,29+/m0/s1