Chemical Compound

(2R,3R,4S,5S,6S)-2-[(2S,3S,4R,5R,6R)-6-[(1R,2S,3S,4S,6R)-2,3-dihydroxy-6-(hydroxymethyl)-4-[[(1S,4S,5R,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexyl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

CAS Registry Number 12650-71-4
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(2R,3R,4S,5S,6S)-2-[(2S,3S,4R,5R,6R)-6-[(1R,2S,3S,4S,6R)-2,3-dihydroxy-6-(hydroxymethyl)-4-[[(1S,4S,5R,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexyl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol 结构式
Primary record

(2R,3R,4S,5S,6S)-2-[(2S,3S,4R,5R,6R)-6-[(1R,2S,3S,4S,6R)-2,3-dihydroxy-6-(hydroxymethyl)-4-[[(1S,4S,5R,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexyl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

库存
8,483 克
纯度
98.5 %
CAS
12650-71-4

化合物标识与属性

CAS
12650-71-4
PubChem CID
139589200
SMILES
C1[C@@H]([C@H]([C@H]([C@H]([C@H]1N[C@H]2C=C([C@@H]([C@H]([C@@H]2O)O)O)CO)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@@H](O3)CO)O[C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CO)O)O)O)O)O)CO
Canonical SMILES
OCC1=C[C@H](N[C@H]2C[C@H](CO)[C@@H](O[C@@H]3O[C@@H](CO)[C@@H](O[C@H]4O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O

名称与同义词

  • Validamycin E
  • RefChem:933908
  • 3-Thujen-2-ol,stereoisomer
  • 48MQ6K49LC
  • CHEBI:224106
  • BRN 4631911
  • 12650-71-4
  • (2R,3R,4S,5S,6S)-2-[(2S,3S,4R,5R,6R)-6-[(1R,2S,3S,4S,6R)-2,3-dihydroxy-6-(hydroxymethyl)-4-[[(1S,4S,5R,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexyl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
  • 2-[6-[2,3-dihydroxy-6-(hydroxymethyl)-4-[[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexyl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol