Chemical Compound

methyl (3S,12S)-12-{[(2R,3R,4S,5S,6R)-3-{[(2S,3R,4S,5R,6R)-4-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3-methylbutanoyl)oxy]oxan-2-yl]oxy}-5-hydroxy-3-{[(2S,3R,4R,5S,6S)-5-hydroxy-6-methyl-3-({2-[(2S,7R)-7-methyl-1,6-dioxaspiro[4.4]nonan-2-yl]acetyl}oxy)-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3-hydroxyhexadecanoate

methyl (3S,12S)-12-{[(2R,3R,4S,5S,6R)-3-{[(2S,3R,4S,5R,6R)-4-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3-methylbutanoyl)oxy]oxan-2-yl]oxy}-5-hydroxy-3-{[(2S,3R,4R,5S,6S)-5-hydroxy-6-methyl-3-({2-[(2S,7R)-7-methyl-1,6-dioxaspiro[4.4]nonan-2-yl]acetyl}oxy)-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3-hydroxyhexadecanoate 结构式
Primary record

methyl (3S,12S)-12-{[(2R,3R,4S,5S,6R)-3-{[(2S,3R,4S,5R,6R)-4-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3-methylbutanoyl)oxy]oxan-2-yl]oxy}-5-hydroxy-3-{[(2S,3R,4R,5S,6S)-5-hydroxy-6-methyl-3-({2-[(2S,7R)-7-methyl-1,6-dioxaspiro[4.4]nonan-2-yl]acetyl}oxy)-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3-hydroxyhexadecanoate

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
132526367
SMILES
CCCC[C@@H](CCCCCCCC[C@@H](CC(=O)OC)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)OC(=O)CC(C)C)O[C@H]5[C@@H]([C@@H]([C@H]([C@@H](O5)C)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)OC(=O)C[C@@H]7CCC8(O7)CC[C@H](O8)C
Canonical SMILES
CCCC[C@@H](CCCCCCCC[C@H](O)CC(=O)OC)O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OC(=O)CC(C)C)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1OC(=O)C[C@@H]1CCC2(CC[C@@H](C)O2)O1

名称与同义词

  • J3.577.167K
  • (3S,12S)-3-Hydroxy-12-[6-O-alpha-L-rhamnopyranosyl-2-O-[3-O-[2-O-(3-methylbutanoyl)-beta-D-glucopyranosyl]-2-O-[3-O-beta-D-glucopyranosyl-2-O-[[(2S,8R)-8-methyl-1,9-dioxaspiro[4.4]nonane-2-yl]acetyl]-alpha-L-rhamnopyranosyl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyloxy]hexadecanoic acid methyl ester
  • methyl (3S,12S)-12-{[(2R,3R,4S,5S,6R)-3-{[(2S,3R,4S,5R,6R)-4-{[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(3-methylbutanoyl)oxy]oxan-2-yl]oxy}-5-hydroxy-3-{[(2S,3R,4R,5S,6S)-5-hydroxy-6-methyl-3-({2-[(2S,7R)-7-methyl-1,6-dioxaspiro[4.4]nonan-2-yl]acetyl}oxy)-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxy-6-({[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}methyl)oxan-2-yl]oxy}-3-hydroxyhexadecanoate