methyl (3S,4S,5S,6S)-3,4,5-triacetyloxy-6-[3-acetyloxy-5-[(E)-2-(4-acetyloxyphenyl)ethenyl]phenoxy]oxane-2-carboxylate
methyl (3S,4S,5S,6S)-3,4,5-triacetyloxy-6-[3-acetyloxy-5-[(E)-2-(4-acetyloxyphenyl)ethenyl]phenoxy]oxane-2-carboxylate · CAS 490028-22-3
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- methyl (3S,4S,5S,6S)-3,4,5-triacetyloxy-6-[3-acetyloxy-5-[(E)-2-(4-acetyloxyphenyl)ethenyl]phenoxy]oxane-2-carboxylate
- CAS
- 490028-22-3
- CID
- 46782869
- IUPAC 名称
- methyl (3S,4S,5S,6S)-3,4,5-triacetyloxy-6-[3-acetyloxy-5-[(E)-2-(4-acetyloxyphenyl)ethenyl]phenoxy]oxane-2-carboxylate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- methyl (3S,4S,5S,6S)-3,4,5-triacetyloxy-6-[3-acetyloxy-5-[(E)-2-(4-acetyloxyphenyl)ethenyl]phenoxy]oxane-2-carboxylate
- CAS
- 490028-22-3
- CID
- 46782869
- IUPAC 名称
- methyl (3S,4S,5S,6S)-3,4,5-triacetyloxy-6-[3-acetyloxy-5-[(E)-2-(4-acetyloxyphenyl)ethenyl]phenoxy]oxane-2-carboxylate
分子属性
- 分子式
- C31H32O14
- 分子量
- 628.6 g/mol
- 精确质量
- 628.17920569 Da
- 单同位素质量
- 628.17920569 Da
- XLogP
- 3.3
- 极性表面积
- 176 Ų
- 氢键供体
- 0
- 氢键受体
- 14
- 可旋转键
- 16
- 重原子数
- 45
- 净电荷
- 0
- 结构复杂度
- 1110
结构标识
- InChIKey
- QJSVFPKNACJMKM-OLADQFPFSA-N
- SMILES
- CC(=O)O[C@@H]1[C@@H]([C@@H](OC([C@H]1OC(=O)C)C(=O)OC)OC2=CC(=CC(=C2)/C=C/C3=CC=C(C=C3)OC(=O)C)OC(=O)C)OC(=O)C
- InChI
- InChI=1S/C31H32O14/c1-16(32)39-23-11-9-21(10-12-23)7-8-22-13-24(40-17(2)33)15-25(14-22)44-31-29(43-20(5)36)27(42-19(4)35)26(41-18(3)34)28(45-31)30(37)38-6/h7-15,26-29,31H,1-6H3/b8-7+/t26-,27-,28?,29-,31+/m0/s1