Chemical Compound

3,4,5-trihydroxy-2-{[(1R,2S,18R,19S,21R)-7,8,9,12,13,14,28,29,32,33,34-undecahydroxy-4,24,37-trioxo-19-(3,4,5-trihydroxybenzoyloxy)-3,17,20,23,38-pentaoxaheptacyclo[19.17.0.02,18.05,10.011,16.025,30.031,36]octatriaconta-5,7,9,11,13,15,25(30),26,28,31,33,35-dodecaen-27-yl]oxy}benzoic acid

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3,4,5-trihydroxy-2-{[(1R,2S,18R,19S,21R)-7,8,9,12,13,14,28,29,32,33,34-undecahydroxy-4,24,37-trioxo-19-(3,4,5-trihydroxybenzoyloxy)-3,17,20,23,38-pentaoxaheptacyclo[19.17.0.02,18.05,10.011,16.025,30.031,36]octatriaconta-5,7,9,11,13,15,25(30),26,28,31,33,35-dodecaen-27-yl]oxy}benzoic acid 结构式
Primary record

3,4,5-trihydroxy-2-{[(1R,2S,18R,19S,21R)-7,8,9,12,13,14,28,29,32,33,34-undecahydroxy-4,24,37-trioxo-19-(3,4,5-trihydroxybenzoyloxy)-3,17,20,23,38-pentaoxaheptacyclo[19.17.0.02,18.05,10.011,16.025,30.031,36]octatriaconta-5,7,9,11,13,15,25(30),26,28,31,33,35-dodecaen-27-yl]oxy}benzoic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
101590860
SMILES
C1[C@@H]2[C@H]([C@H]3[C@H]([C@@H](O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC5=C(C6=C(C(=C(C=C6C(=O)O3)O)O)O)C(=C(C(=C5)O)O)O)OC(=O)C7=CC(=C(C(=C7C8=C(C(=C(C=C8C(=O)O1)OC9=C(C(=C(C=C9C(=O)O)O)O)O)O)O)O)O)O
Canonical SMILES
O=C(O[C@@H]1O[C@@H]2COC(=O)c3cc(Oc4c(C(=O)O)cc(O)c(O)c4O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)C(=O)O[C@H]2[C@@H]2OC(=O)c3cc(O)c(O)c(O)c3-c3c(cc(O)c(O)c3O)O[C@@H]12)c1cc(O)c(O)c(O)c1

名称与同义词

  • Rugosin C
  • SCHEMBL30558842
  • J362.228B
  • 3,4,5-trihydroxy-2-{[(1R,2S,18R,19S,21R)-7,8,9,12,13,14,28,29,32,33,34-undecahydroxy-4,24,37-trioxo-19-(3,4,5-trihydroxybenzoyloxy)-3,17,20,23,38-pentaoxaheptacyclo[19.17.0.02,18.05,10.011,16.025,30.031,36]octatriaconta-5,7,9,11,13,15,25(30),26,28,31,33,35-dodecaen-27-yl]oxy}benzoic acid
  • Galloyl 2-O,3-O-[(2,2 ,3,3 ,4,4 -hexahydroxy-1,1 -biphenyl-6,6 -diyl)carbonyl]-4-O,6-O-[[4 -(2,3,4-trihydroxy-6-carboxyphenoxy)-2,2 ,3,3 ,4-pentahydroxy[1,1 -biphenyl]-6,6 -diyl]dicarbonyl]-beta-D-glucopyranoside