Name: Zaragozic acid C
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212710273
Cas No:146389-62-0
常用名:Zaragozic acid C
别名:L-697350, L697350, L-697,350, L 697350, L 697,350
别名:L-697350, L697350, L-697,350, L 697350, L 697,350
IUPAC:(1S,3S,4S,5R,6R,7R)-1-[(4R,5R)-4-(acetyloxy)-5-methyl-6-phenylhexyl]-4,7-dihydroxy-6-{[(4E,6R)-6-methyl-9-phenylnon-4-enoyl]oxy}-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
IUPAC:(1S,3S,4S,5R,6R,7R)-1-[(4R,5R)-4-(acetyloxy)-5-methyl-6-phenylhexyl]-4,7-dihydroxy-6-{[(4E,6R)-6-methyl-9-phenylnon-4-enoyl]oxy}-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
InChI key:KQMNJFMTGHRJHM-ZFSXNWTMSA-N

分子式:C40H50O14
分子量:754.826
氢键供体数 (HBD):5
氢键受体数 (HBA):12
LogP:6.304871
SMILES:C[C@H](CCCc1ccccc1)\C=C\CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O
SMILES:C[C@H](CCCc1ccccc1)\C=C\CCC(=O)O[C@@H]1[C@@H](O)[C@]2(CCC[C@@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@@]1(C(O)=O)[C@@](O)([C@H](O2)C(O)=O)C(O)=O

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