Chemical Compound
(1S,3S,4R)-4-[(3R,4aS,5R,6S)-5-ethenyl-1-oxo-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H,4H,4aH,5H,6H-pyrano[3,4-c]pyran-3-yl]-1-{[(2S,3R,4S)-3-ethenyl-5-(methoxycarbonyl)-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]methyl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid
Primary record
(1S,3S,4R)-4-[(3R,4aS,5R,6S)-5-ethenyl-1-oxo-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H,4H,4aH,5H,6H-pyrano[3,4-c]pyran-3-yl]-1-{[(2S,3R,4S)-3-ethenyl-5-(methoxycarbonyl)-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]methyl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid
- 库存
- 550 克
- 纯度
- 98.1 %
化合物标识与属性
- PubChem CID
- 21577868
- SMILES
- COC(=O)C1=CO[C@H]([C@@H]([C@@H]1C[C@H]2C3=C([C@H]([C@H](N2)C(=O)O)[C@H]4C[C@H]5[C@H]([C@@H](OC=C5C(=O)O4)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C=C)C7=CC=CC=C7N3)C=C)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O
- Canonical SMILES
- C=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1C[C@@H]1N[C@H](C(=O)O)[C@H]([C@H]2C[C@@H]3C(=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3C=C)C(=O)O2)c2c1[nH]c1ccccc21
名称与同义词
- J1.678.261K
- (1S)-1,2,3,4-Tetrahydro-1alpha-[[(2S)-2beta-(beta-D-glucopyranosyloxy)-3alpha-ethenyl-5-(methoxycarbonyl)-3,4-dihydro-2H-pyran-4alpha-yl]methyl]-4alpha-[(3R)-4,4aalpha,5,6-tetrahydro-5beta-ethenyl-6alpha-(beta-D-glucopyranosyloxy)-1-oxo-1H,3H-pyrano[3,4-c]pyran-3beta-yl]-9H-pyrido[3,4-b]indole-3alpha-carboxylic acid
- (1S,3S,4R)-4-[(3R,4aS,5R,6S)-5-ethenyl-1-oxo-6-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,3H,4H,4aH,5H,6H-pyrano[3,4-c]pyran-3-yl]-1-{[(2S,3R,4S)-3-ethenyl-5-(methoxycarbonyl)-2-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-pyran-4-yl]methyl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid