Name: Lasalocid
Rating: 5 (10 reviews)

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sdf 文件

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HIT ID:HIT100362839
Cas No:25999-20-6;25999-31-9
常用名:Lasalocid
别名:那塞罗, Lasalocid-A, Ionophore X-537A, Antibiotic X-537A
别名:那塞罗, Lasalocid-A, Ionophore X-537A, Antibiotic X-537A
IUPAC:6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-3-methyloxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid
IUPAC:6-[(3R,4S,5S,7R)-7-[(2S,3S,5S)-5-ethyl-5-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-3-methyloxolan-2-yl]-4-hydroxy-3,5-dimethyl-6-oxononyl]-2-hydroxy-3-methylbenzoic acid
InChI key:BBMULGJBVDDDNI-OWKLGTHSSA-N

分子式:C34H54O8
分子量:590.798
氢键供体数 (HBD):4
氢键受体数 (HBA):8
LogP:7.665
SMILES:CC[C@H]([C@H]1O[C@@](CC)(C[C@@H]1C)[C@H]1CC[C@](O)(CC)[C@H](C)O1)C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(O)=O
SMILES:CC[C@H]([C@H]1O[C@@](CC)(C[C@@H]1C)[C@H]1CC[C@](O)(CC)[C@H](C)O1)C(=O)[C@@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(O)=O

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