Chemical Compound
(2S,3S,4S,5R,6S)-3-{[(2S,3R,4S,5R,6S)-5-(dodecanoyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-2-methyl-6-{[(1S,3R,4S,5R,6R,8R,10S,22S,23S,24S,26R)-4,5,26-trihydroxy-6,24-dimethyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-23-yl]oxy}oxan-4-yl (11R)-11-{[(2R,3R,4S,5R,6R)-3-{[(2S,3R,4S,5S,6S)-4-(decanoyloxy)-5-{[(2S,3R,4R,5R,6S)-5-{[(2S,3R,4S,5R,6S)-5-(decanoyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-3-(dodecanoyloxy)-4-hydroxy-6-methyloxan-2-yl]oxy}-3-hydroxy-6-methyloxan-2-yl]oxy}-4,5-dihydroxy-6-methyloxan-2-yl]oxy}hexadecanoate
Primary record
(2S,3S,4S,5R,6S)-3-{[(2S,3R,4S,5R,6S)-5-(dodecanoyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-2-methyl-6-{[(1S,3R,4S,5R,6R,8R,10S,22S,23S,24S,26R)-4,5,26-trihydroxy-6,24-dimethyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-23-yl]oxy}oxan-4-yl (11R)-11-{[(2R,3R,4S,5R,6R)-3-{[(2S,3R,4S,5S,6S)-4-(decanoyloxy)-5-{[(2S,3R,4R,5R,6S)-5-{[(2S,3R,4S,5R,6S)-5-(decanoyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-3-(dodecanoyloxy)-4-hydroxy-6-methyloxan-2-yl]oxy}-3-hydroxy-6-methyloxan-2-yl]oxy}-4,5-dihydroxy-6-methyloxan-2-yl]oxy}hexadecanoate
- 库存
- 550 克
- 纯度
- 98.1 %
化合物标识与属性
- PubChem CID
- 177407573
- SMILES
- CCCCCCCCCCCC(=O)O[C@H]1[C@@H](O[C@H]([C@@H]([C@@H]1O)O)O[C@H]2[C@@H](O[C@H]([C@@H]([C@@H]2OC(=O)CCCCCCCCC[C@@H](CCCCC)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)C)O)O)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O[C@H]6[C@@H]([C@@H]([C@H]([C@@H](O6)C)OC(=O)CCCCCCCCC)O)O)O)OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCC)O)O)O[C@H]7[C@@H](O[C@@H]8[C@@H]([C@@H]7OC(=O)CCCCCCCCCC(O[C@H]9[C@H](O8)[C@H]([C@H]([C@H](O9)C)O)O)CCCCC)O)C)C)C
- Canonical SMILES
- CCCCCCCCCCCC(=O)O[C@@H]1[C@@H](O)[C@@H](O)[C@H](O[C@@H]2[C@@H](OC(=O)CCCCCCCCC[C@@H](CCCCC)O[C@@H]3O[C@H](C)[C@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@@H](C)[C@H](O[C@@H]4O[C@@H](C)[C@H](O[C@@H]5O[C@@H](C)[C@H](OC(=O)CCCCCCCCC)[C@@H](O)[C@H]5O)[C@@H](O)[C@H]4OC(=O)CCCCCCCCCCC)[C@@H](OC(=O)CCCCCCCCC)[C@H]3O)[C@@H](O)[C@H](O[C@@H]3[C@H]4OC(=O)CCCCCCCCCC(CCCCC)O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O[C@H](O[C@H]3C)[C@@H]4O)O[C@H]2C)O[C@H]1C
名称与同义词
- Batatin III
- J2.948.805C
- (2S,3S,4S,5R,6S)-3-{[(2S,3R,4S,5R,6S)-5-(dodecanoyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-2-methyl-6-{[(1S,3R,4S,5R,6R,8R,10S,22S,23S,24S,26R)-4,5,26-trihydroxy-6,24-dimethyl-20-oxo-10-pentyl-2,7,9,21,25-pentaoxatricyclo[20.3.1.03,8]hexacosan-23-yl]oxy}oxan-4-yl (11R)-11-{[(2R,3R,4S,5R,6R)-3-{[(2S,3R,4S,5S,6S)-4-(decanoyloxy)-5-{[(2S,3R,4R,5R,6S)-5-{[(2S,3R,4S,5R,6S)-5-(decanoyloxy)-3,4-dihydroxy-6-methyloxan-2-yl]oxy}-3-(dodecanoyloxy)-4-hydroxy-6-methyloxan-2-yl]oxy}-3-hydroxy-6-methyloxan-2-yl]oxy}-4,5-dihydroxy-6-methyloxan-2-yl]oxy}hexadecanoate
- 1-O,3-O-[2-Deoxy-beta-D-fucopyranose-2,1-O-diyl[(S)-16-oxohexadecane-6,16-diyl]]-4-O-[3-O-[(11R)-11-[2-O-[4-O-[4-O-(4-O-decanoyl-alpha-L-rhamnopyranosyl)-2-O-dodecanoyl-alpha-L-rhamnopyranosyl]-3-O-decanoyl-alpha-L-rhamnopyranosyl]-beta-D-fucopyranosyloxy]hexadecanoyl]-4-O-(4-O-dodecanoyl-alpha-L-rhamnopyranosyl)-alpha-L-rhamnopyranosyl]-alpha-L-rhamnopyranose