((2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(((1S,4aS,5R,7S,7aR)-4a,5,7-trihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl)oxy)tetrahydro-2H-pyran-2-yl)methyl cinnamate
((2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(((1S,4aS,5R,7S,7aR)-4a,5,7-trihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl)oxy)tetrahydro-2H-pyran-2-yl)methyl cinnamate · CAS 1245572-24-0
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- ((2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(((1S,4aS,5R,7S,7aR)-4a,5,7-trihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl)oxy)tetrahydro-2H-pyran-2-yl)methyl cinnamate
- CAS
- 1245572-24-0
- CID
- 131846108
- IUPAC 名称
- [(2R,3S,4S,5R,6S)-6-[[(1S,4aS,5R,7S,7aR)-4a,5,7-trihydroxy-7-methyl-1,5,6,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-phenylprop-2-enoate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- ((2R,3S,4S,5R,6S)-3,4,5-Trihydroxy-6-(((1S,4aS,5R,7S,7aR)-4a,5,7-trihydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl)oxy)tetrahydro-2H-pyran-2-yl)methyl cinnamate
- CAS
- 1245572-24-0
- CID
- 131846108
- IUPAC 名称
- [(2R,3S,4S,5R,6S)-6-[[(1S,4aS,5R,7S,7aR)-4a,5,7-trihydroxy-7-methyl-1,5,6,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-phenylprop-2-enoate
分子属性
- 分子式
- C24H30O11
- 分子量
- 494.5 g/mol
- 精确质量
- 494.17881177 Da
- 单同位素质量
- 494.17881177 Da
- XLogP
- -1.2
- 极性表面积
- 175 Ų
- 氢键供体
- 6
- 氢键受体
- 11
- 可旋转键
- 7
- 重原子数
- 35
- 净电荷
- 0
- 结构复杂度
- 811
结构标识
- InChIKey
- KIYJOXJZHKKVBS-FMHLWDFHSA-N
- SMILES
- C[C@@]1(C[C@H]([C@]2([C@@H]1[C@@H](OC=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)/C=C/C4=CC=CC=C4)O)O)O)O)O)O
- InChI
- InChI=1S/C24H30O11/c1-23(30)11-15(25)24(31)9-10-32-22(20(23)24)35-21-19(29)18(28)17(27)14(34-21)12-33-16(26)8-7-13-5-3-2-4-6-13/h2-10,14-15,17-22,25,27-31H,11-12H2,1H3/b8-7+/t14-,15-,17-,18+,19-,20-,21+,22+,23+,24-/m1/s1