Name: Ionomycin calcium
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214315246
Cas No:56092-82-1
常用名:Ionomycin calcium
IUPAC:(4R,6S,8S,10Z,12R,14R,16E,18R,19R,20S,21S)-11,19,21-trihydroxy-22-[(2S,2'R,5S,5'S)-5'-[(1R)-1-hydroxyethyl]-2,5'-dimethyl-[2,2'-bioxolan]-5-yl]-4,6,8,12,14,18,20-heptamethyl-9-oxodocosa-10,16-dienoic acid calcium dihydride
IUPAC:(4R,6S,8S,10Z,12R,14R,16E,18R,19R,20S,21S)-11,19,21-trihydroxy-22-[(2S,2'R,5S,5'S)-5'-[(1R)-1-hydroxyethyl]-2,5'-dimethyl-[2,2'-bioxolan]-5-yl]-4,6,8,12,14,18,20-heptamethyl-9-oxodocosa-10,16-dienoic acid calcium dihydride
InChI key:YPSXBIGTYPYYQG-POIOGDOOSA-N

分子式:C41H72CaO9
分子量:749.096
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[CaH2].[H][C@@]1(CC[C@](C)(O1)[C@@H](C)O)[C@]1(C)CC[C@@H](C[C@H](O)[C@H](C)[C@H](O)[C@H](C)\C=C\C[C@@H](C)C[C@@H](C)C(\O)=C\C(=O)[C@@H](C)C[C@@H](C)C[C@H](C)CCC(O)=O)O1
SMILES:[CaH2].[H][C@@]1(CC[C@](C)(O1)[C@@H](C)O)[C@]1(C)CC[C@@H](C[C@H](O)[C@H](C)[C@H](O)[C@H](C)\C=C\C[C@@H](C)C[C@@H](C)C(\O)=C\C(=O)[C@@H](C)C[C@@H](C)C[C@H](C)CCC(O)=O)O1

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