Oleficin
HIT214312464
sdf文件结构编辑类似物检索
HIT ID: HIT214312464
Cas No: 12764-54-4
分子式: C34H47NO9
分子量: 613.748
常用名: Oleficin
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: 3-{4-[(2E,4E,6E,8E,10E,12E)-15-{[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-12,14,16-trimethylheptadeca-2,4,6,8,10,12-hexaenoyl]-5-hydroxy-1-methyl-3-oxo-2,3-dihydro-1H-pyrrol-2-yl}propanoic acid
IUPAC: 3-{4-[(2E,4E,6E,8E,10E,12E)-15-{[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-12,14,16-trimethylheptadeca-2,4,6,8,10,12-hexaenoyl]-5-hydroxy-1-methyl-3-oxo-2,3-dihydro-1H-pyrrol-2-yl}propanoic acid
SMILES: CC(C)C(O[C@@H]1C[C@H](O)[C@H](O)[C@@H](C)O1)C(C)\C=C(/C)\C=C\C=C\C=C\C=C\C=C\C(=O)C1=C(O)N(C)C(CCC(O)=O)C1=O |c:32|
SMILES: CC(C)C(O[C@@H]1C[C@H](O)[C@H](O)[C@@H](C)O1)C(C)\C=C(/C)\C=C\C=C\C=C\C=C\C=C\C(=O)C1=C(O)N(C)C(CCC(O)=O)C1=O |c:32|
InChI key: HWUGZOTWTJWVJI-FBUPINBZSA-N
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