A28086B

2-[6-[6-[3-(5-ethyl-5-hydroxy-6-methyloxan-2-yl)-3,10,12-trimethyl-15-oxo-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-3,5-dimethyloxan-2-yl]butanoic acid

Also Known As: Narasin B|Antibiotic A 28086B|A 28086B|(4S)-20-Deoxy-20-oxo-4beta-methylsalinomycin|A-28086 B|Salinomycin, 20-deoxy-4-methyl-20-oxo-, (4S)-|2-(6-{6-[2-(5-ethyl-5-hydroxy-6-methyltetrahydro-2h-pyran-2-yl)-2,10,12-trimethyl-15-oxo-1,6,8-trioxadispiro[4.1.5.3]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl}-3,5-dimethyltetrahydro-2h-pyran-2-yl)butanoic acid|2-[6-[6-[3-(5-ethyl-5-hydroxy-6-methyloxan-2-yl)-3,10,12-trimethyl-15-oxo-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-3,5-dimethyloxan-2-yl]butanoic acid|2-(6-{5-[2-(5-Ethyl-5-hydroxy-6-methyl-tetrahydro-pyran-2-yl)-2,10,12-trimethyl-15-oxo-1,6,8-trioxa-dispiro[4.1.5.3]pentadec-13-en-9-yl]-2-hydroxy-1,3-dimethyl-4-oxo-heptyl}-3,5-dimethyl-tetrahydro-pyran-2-yl)-butyric acid|2-(6-{6-[2-(5-Ethyl-5-hydroxy-6-methyloxan-2-yl)-2,10,12-trimethyl-15-oxo-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)butanoic acid|2-[6-[6-[3-(5-ethyl-5-hydroxy-6-methyloxan-2-yl)-3,10,12-trimethyl-15-oxo-4,6,8-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]butanoic acid

Molecular Formula	C43H70O11
Molecular Weight	762.4918 g/mol
LogP	6.5
Topological Polar Surface Area	158.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	11
Rotatable Bonds	12
Exact Mass	762.4918
Monoisotopic Mass	762.4918
Heavy Atoms	54
Complexity	1400.0

Chemical Identifiers

CAS Number	6966-91-2
SMILES	CCC(C1C(CC(C(O1)C(C)C(C(C)C(=O)C(CC)C2C(CC(C3(O2)C=CC(=O)C4(O3)CCC(O4)(C)C5CCC(C(O5)C)(CC)O)C)C)O)C)C)C(=O)O
InChIKey	FBLJTCGAXDPRJH-UHFFFAOYSA-N