一、基本信息
- 中文名称：丁香苦苷
- 英文名称：Syringopicroside
- CAS号：29118-80-7
- 分子式：C24H30O11
- 分子量：494.4884
二、化学结构
- InChI：InChI=1S/C24H30O11/c1-11-16(27)8-14-15(22(31)32-7-6-12-2-4-13(26)5-3-12)10-33-23(18(11)14)35-24-21(30)20(29)19(28)17(9-25)34-24/h2-5,10-11,14,17-21,23-26,28-30H,6-9H2,1H3/t11-,14+,17+,18+,19+,20-,21+,23-,24-/m0/s1
- InChIKey：VBXLWOOOZVFVNF-MUNFHUKUSA-N
- Canonical Smiles：C[C@@H]1[C@@H]2C@HC(=CO[C@H]2O[C@H]3C@@HO)C(=O)OCCC4=CC=C(C=C4)O
三、名称和标识
- 中文别名：丁香苦甙；Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-6-oxo-, 2-(4-hydroxyphenyl)ethyl ester, (1S,4aS,7R,7aS)-(1S)-1α-(β-D-Glucopyranosyloxy)-1,4aα,5,6,7,7aα-hexahydro-7α-methyl-6-oxocyclopenta[c]pyran-4-carboxylic acid 2-(4-hydroxyphenyl)ethyl ester
- 英文别名：2-(4-Hydroxyphenyl)ethyl (1S,4aS,7R,7aS)-1-(β-D-glucopyranosyloxy)-7-methyl-6-oxo-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate；Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-6-oxo-, 2-(4-hydroxyphenyl)ethyl ester, (1S,4aS,7R,7aS)-；Cyclopenta[c]pyran-4-carboxylic acid,1-(?CAS 29118-80-7 Inchi；InChI=1S/C24H30O11/c1-11-16(27)8-14-15(22(31)32-7-6-12-2-4-13(26)5-3-12)10-33-23(18(11)14)35-24-21(30)20(29)19(28)17(9-25)34-24/h2-5,10-11,14,17-21,23-26,28-30H,6-9H2,1H3/t11-,14+,17+,18+,19+,20-,21+,23-,24-/m0/s1等
四、国际化联命名
2-(4-hydroxyphenyl)ethyl (1S,4aS,7R,7aS)-7-methyl-6-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,7,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
综上所述，丁香苦苷（CAS号：29118-80-7）是一种具有特定化学结构和多种别名的化合物，在化学和生物学领域可能具有潜在的应用价值。
