Narasin (sodium salt) | CAS 58331-17-2 | AnyMole

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HIT213840767

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HIT213840767

HIT ID:HIT213840767
Cas No:58331-17-2
常用名:Narasin (sodium salt)
IUPAC:sodium (2R)-2-[(2R,3S,5S)-6-[(2S,3S,4S,6R)-6-[(2S,5S,7R,9S,10S,12R,15R)-2-[(2R,5R)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5^{7}.3^{5}]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-3,5-dimethyloxan-2-yl]butanoate
IUPAC:sodium (2R)-2-[(2R,3S,5S)-6-[(2S,3S,4S,6R)-6-[(2S,5S,7R,9S,10S,12R,15R)-2-[(2R,5R)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-hydroxy-2,10,12-trimethyl-1,6,8-trioxadispiro[4.1.5^{7}.3^{5}]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-3,5-dimethyloxan-2-yl]butanoate
InChI key:NBRZEFXQRCTYMC-GTPUJFEWSA-M

分子式:C43H71NaO11
分子量:787.02
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Na+].CC[C@H]([C@@H]1OC([C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]2O[C@@]3(O[C@@]4(CC[C@](C)(O4)[C@H]4CC[C@](O)(CC)C(C)O4)[C@H](O)C=C3)[C@H](C)C[C@@H]2C)[C@@H](C)C[C@@H]1C)C([O-])=O
SMILES:[Na+].CC[C@H]([C@@H]1OC([C@@H](C)[C@H](O)[C@H](C)C(=O)[C@H](CC)[C@H]2O[C@@]3(O[C@@]4(CC[C@](C)(O4)[C@H]4CC[C@](O)(CC)C(C)O4)[C@H](O)C=C3)[C@H](C)C[C@@H]2C)[C@@H](C)C[C@@H]1C)C([O-])=O

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