Chemical Compound

(2S,3S,4S,5R,6S)-5-hydroxy-2-methyl-6-{[(2S,3S,4R,5R,6S)-2-methyl-5-[(2-methylbutanoyl)oxy]-6-{[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25R,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy}-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]oxy}-4-{[(2E)-3-phenylprop-2-enoyl]oxy}oxan-3-yl dodecanoate

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(2S,3S,4S,5R,6S)-5-hydroxy-2-methyl-6-{[(2S,3S,4R,5R,6S)-2-methyl-5-[(2-methylbutanoyl)oxy]-6-{[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25R,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy}-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]oxy}-4-{[(2E)-3-phenylprop-2-enoyl]oxy}oxan-3-yl dodecanoate 结构式
Primary record

(2S,3S,4S,5R,6S)-5-hydroxy-2-methyl-6-{[(2S,3S,4R,5R,6S)-2-methyl-5-[(2-methylbutanoyl)oxy]-6-{[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25R,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy}-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]oxy}-4-{[(2E)-3-phenylprop-2-enoyl]oxy}oxan-3-yl dodecanoate

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177570953
SMILES
CCCCCCCCCCCC(=O)O[C@H]1[C@@H](O[C@H]([C@@H]([C@@H]1OC(=O)/C=C/C2=CC=CC=C2)O)O[C@H]3[C@@H](O[C@H]([C@@H]([C@@H]3O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC(=O)C(C)CC)O[C@H]5[C@@H](O[C@@H]6[C@@H]([C@@H]5O)OC(=O)CCCCCCCCCC(O[C@H]7[C@H](O6)[C@H]([C@H]([C@H](O7)C)O)O)CCCCC)C)C)C
Canonical SMILES
CCCCCCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)/C=C/c2ccccc2)[C@@H](O)[C@H](O[C@@H]2[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](OC(=O)C(C)CC)[C@H](O[C@@H]3[C@@H](O)[C@H]4OC(=O)CCCCCCCCCC(CCCCC)O[C@@H]5O[C@H](C)[C@H](O)[C@H](O)[C@H]5O[C@@H]4O[C@H]3C)O[C@H]2C)O[C@H]1C

名称与同义词

  • Batatoside H
  • J2.701.563H
  • (11S)-1,11-[[4-O-[2-O-(2-Methylbutanoyl)-3-O-(beta-D-glucopyranosyl)-4-O-(3-O-cinnamoyl-4-O-dodecanoyl-alpha-L-rhamnopyranosyl)-alpha-L-rhamnopyranosyl]-1,6-dideoxy-alpha-L-mannopyranose-2-O,1-diyl](beta-D-fucopyranose-2-O,1-O-diyl)]hexadecane-1-one
  • (2S,3S,4S,5R,6S)-5-hydroxy-2-methyl-6-{[(2S,3S,4R,5R,6S)-2-methyl-5-[(2-methylbutanoyl)oxy]-6-{[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25R,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy}-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl]oxy}-4-{[(2E)-3-phenylprop-2-enoyl]oxy}oxan-3-yl dodecanoate