Chemical Compound

(3S,4R,5S,6S,7R,16S,17R,18S,19S,20R)-17-(benzoyloxy)-5,18-dihydroxy-10,23-dioxo-6,19-bis({[(4Z)-6-oxohept-4-enoyl]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({[(4Z)-6-oxohept-4-enoyl]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({[(4Z)-6-oxohept-4-enoyl]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
177546588
SMILES
CC(=O)/C=C\CCC(=O)O[C@H]1[C@@H]([C@H]([C@@H]2OC3=CC=C(C(=O)OC[C@H]4O[C@@H](OC5=CC=C(C(=O)OC[C@H]1O2)C=C5)[C@@H]([C@H]([C@@H]4OC(=O)CC/C=C\C(=O)C)O)OC(=O)C6=CC=CC=C6)C=C3)OC(=O)C7=CC=CC=C7)O
Canonical SMILES
CC(=O)/C=C\CCC(=O)O[C@H]1[C@H](O)[C@@H](OC(=O)c2ccccc2)[C@@H]2Oc3ccc(cc3)C(=O)OC[C@H]3O[C@@H](Oc4ccc(cc4)C(=O)OC[C@H]1O2)[C@H](OC(=O)c1ccccc1)[C@@H](O)[C@@H]3OC(=O)CC/C=C\C(C)=O

名称与同义词

  • Pakistolide B
  • J2.037.520E
  • (3S,4R,5S,6S,7R,16S,17R,18S,19S,20R)-17-(benzoyloxy)-5,18-dihydroxy-10,23-dioxo-6,19-bis({[(4Z)-6-oxohept-4-enoyl]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-[(Z)-1,6-dioxo-4-heptenyl]-beta-D-glucopyranose-1-O,6-O-diyl]carbonyl-p-phenylene[2-O-benzoyl-4-O-[(Z)-1,6-dioxo-4-heptenyl]-beta-D-glucopyranose-1-O,6-O-diyl]carbonyl]benzene