Chemical Compound

(2S,3R,5S,6R)-2-[7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol chloride

CAS Registry Number 16727-30-3
(2S,3R,5S,6R)-2-[7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol chloride 结构式
Primary record

(2S,3R,5S,6R)-2-[7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol chloride

库存
4,470 克
纯度
98.6 %
CAS
16727-30-3

化合物标识与属性

CAS
16727-30-3
PubChem CID
73608
SMILES
COC1=CC(=CC(=C1O)OC)C2=C(C=C3C(=CC(=CC3=[O+]2)O)O[C@H]4[C@@H](C([C@@H]([C@H](O4)CO)O)O)O)O[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)CO)O)O)O.[Cl-]
Canonical SMILES
COc1cc(-c2[o+]c3cc(O)cc(O[C@@H]4O[C@H](CO)[C@@H](O)C(O)[C@H]4O)c3cc2O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O.[Cl-]

名称与同义词

  • MALVIN
  • AC1Q1SAH
  • AC1L2K5V
  • SCHEMBL3769735
  • MALVIDIN 3,5-DIGLUCOSIDE
  • CID73608
  • AR-1G6557
  • 16727-30-3
  • 5-[(3xi)-|A-d-ribo-hexopyranosyloxy]-7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenium-3-yl |A-l-glucopyranoside chloride
  • (2S,3R,5S,6R)-2-[7-hydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)-3-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol chloride
  • 17042-39-6