[(2R,4aR,6R,7R,8S,8aR)-6-[[(5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]oxy]-7-(2,2-dichloroacetyl)oxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 2,2-dichloroacetate
[(2R,4aR,6R,7R,8S,8aR)-6-[[(5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]oxy]-7-(2,2-dichloroacetyl)oxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 2,2-dichloroacetate · CAS 260974-95-6
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [(2R,4aR,6R,7R,8S,8aR)-6-[[(5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]oxy]-7-(2,2-dichloroacetyl)oxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 2,2-dichloroacetate
- CAS
- 260974-95-6
- CID
- 11388745
- IUPAC 名称
- [(2R,4aR,6R,7R,8S,8aR)-6-[[(5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]oxy]-7-(2,2-dichloroacetyl)oxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 2,2-dichloroacetate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- [(2R,4aR,6R,7R,8S,8aR)-6-[[(5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]oxy]-7-(2,2-dichloroacetyl)oxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 2,2-dichloroacetate
- CAS
- 260974-95-6
- CID
- 11388745
- IUPAC 名称
- [(2R,4aR,6R,7R,8S,8aR)-6-[[(5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-5-yl]oxy]-7-(2,2-dichloroacetyl)oxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-8-yl] 2,2-dichloroacetate
分子属性
- 分子式
- C33H32Cl4O15
- 分子量
- 810.4 g/mol
- 精确质量
- 810.046581 Da
- 单同位素质量
- 808.049531 Da
- XLogP
- 4.4
- 极性表面积
- 173 Ų
- 氢键供体
- 1
- 氢键受体
- 15
- 可旋转键
- 11
- 重原子数
- 52
- 净电荷
- 0
- 结构复杂度
- 1300
结构标识
- InChIKey
- ZDOAXGYNZJIUPI-UBXXYUJJSA-N
- SMILES
- C[C@@H]1OC[C@@H]2[C@@H](O1)[C@@H]([C@H]([C@@H](O2)O[C@H]3[C@H]4COC(=O)[C@@H]4[C@@H](C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7)OC)O)OC)OC(=O)C(Cl)Cl)OC(=O)C(Cl)Cl
- InChI
- InChI=1S/C33H32Cl4O15/c1-11-44-9-20-25(48-11)26(50-31(40)28(34)35)27(51-32(41)29(36)37)33(49-20)52-24-14-7-17-16(46-10-47-17)6-13(14)21(22-15(24)8-45-30(22)39)12-4-18(42-2)23(38)19(5-12)43-3/h4-7,11,15,20-22,24-29,33,38H,8-10H2,1-3H3/t11-,15+,20-,21-,22+,24-,25-,26+,27-,33+/m1/s1