Chemical Compound

(3S,4R,5S,6S,7R,16S,17R,18S,19S,20R)-17-(benzoyloxy)-5,18-dihydroxy-10,23-dioxo-6,19-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-2,9,15,22,29,32-hexaoxapentacyclo[22.2.2.211,14.13,7.116,20]dotriaconta-1(26),11,13,24,27,30-hexaen-4-yl benzoate

(3S,4R,5S,6S,7R,16S,17R,18S,19S,20R)-17-(benzoyloxy)-5,18-dihydroxy-10,23-dioxo-6,19-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-2,9,15,22,29,32-hexaoxapentacyclo[22.2.2.211,14.13,7.116,20]dotriaconta-1(26),11,13,24,27,30-hexaen-4-yl benzoate 结构式
Primary record

(3S,4R,5S,6S,7R,16S,17R,18S,19S,20R)-17-(benzoyloxy)-5,18-dihydroxy-10,23-dioxo-6,19-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-2,9,15,22,29,32-hexaoxapentacyclo[22.2.2.211,14.13,7.116,20]dotriaconta-1(26),11,13,24,27,30-hexaen-4-yl benzoate

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177496826
SMILES
C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC=C(C=C3)C(=O)OC[C@@H]4[C@H]([C@@H]([C@H]([C@@H](O4)OC5=CC=C(C=C5)C(=O)O1)OC(=O)C6=CC=CC=C6)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)OC(=O)C8=CC=CC=C8)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O
Canonical SMILES
O=C1OC[C@H]2O[C@@H](Oc3ccc(cc3)C(=O)OC[C@H]3O[C@@H](Oc4ccc1cc4)[C@H](OC(=O)c1ccccc1)[C@@H](O)[C@@H]3O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](OC(=O)c1ccccc1)[C@@H](O)[C@@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

名称与同义词

  • Pakistolide A
  • J2.037.519A
  • (3S,4R,5S,6S,7R,16S,17R,18S,19S,20R)-17-(benzoyloxy)-5,18-dihydroxy-10,23-dioxo-6,19-bis({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy})-2,9,15,22,29,32-hexaoxapentacyclo[22.2.2.211,14.13,7.116,20]dotriaconta-1(26),11,13,24,27,30-hexaen-4-yl benzoate
  • 1,4-[[2-O-Benzoyl-4-O-(beta-D-glucopyranosyl)-beta-D-glucopyranose-1-O,6-O-diyl]carbonyl-p-phenylene[2-O-benzoyl-4-O-(beta-D-glucopyranosyl)-beta-D-glucopyranose-1-O,6-O-diyl]carbonyl]benzene