Ionomycin calcium
HIT214315246
sdf文件结构编辑类似物检索
HIT ID: HIT214315246
Cas No: 56092-82-1
分子式: C41H74CaO9
分子量: 751.112
常用名: Ionomycin calcium
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
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
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
InChI key: YPSXBIGTYPYYQG-POIOGDOOSA-N
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