methyl (1R,4aR,5R,7aR)-7-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
methyl (1R,4aR,5R,7aR)-7-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate · CAS 83348-22-5
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- methyl (1R,4aR,5R,7aR)-7-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
- CAS
- 83348-22-5
- CID
- 158498
- IUPAC 名称
- methyl (1R,4aR,5R,7aR)-7-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
名称与编号
- 中文名
- 暂无
- 中文别名
- 暂无
- 英文名
- methyl (1R,4aR,5R,7aR)-7-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
- CAS
- 83348-22-5
- CID
- 158498
- IUPAC 名称
- methyl (1R,4aR,5R,7aR)-7-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-5-hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate
分子属性
- 分子式
- C26H30O14
- 分子量
- 566.5 g/mol
- 精确质量
- 566.16355563 Da
- 单同位素质量
- 566.16355563 Da
- XLogP
- -1.5
- 极性表面积
- 222 Ų
- 氢键供体
- 7
- 氢键受体
- 14
- 可旋转键
- 10
- 重原子数
- 40
- 净电荷
- 0
- 结构复杂度
- 1010
结构标识
- InChIKey
- LLNDGETZUXLFQJ-HQCPGWPKSA-N
- SMILES
- COC(=O)C1=CO[C@@H]([C@@H]2[C@H]1[C@@H](C=C2COC(=O)C=CC3=CC(=C(C=C3)O)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
- InChI
- InChI=1S/C26H30O14/c1-36-24(35)13-10-38-25(40-26-23(34)22(33)21(32)17(8-27)39-26)19-12(7-16(30)20(13)19)9-37-18(31)5-3-11-2-4-14(28)15(29)6-11/h2-7,10,16-17,19-23,25-30,32-34H,8-9H2,1H3/t16-,17-,19+,20-,21-,22+,23-,25-,26+/m1/s1