Narasin, 20-deoxy-17-epi-

2-[6-[6-[3-(5-ethyl-5-hydroxy-6-methyloxan-2-yl)-3,10,12-trimethyl-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: Deoxy-epi-narasin|20-Deoxynarasin|20-Deoxy-epi-17-narasin|Narasin, 20-deoxy-17-epi-|20-Deoxy-17-epinararin|Sallinomycin, 2-deoxy-4-methyl-, (4S,17R)-|2-(6-{6-[2-(5-Ethyl-5-hydroxy-6-methyloxan-2-yl)-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)butanoic acid|2-[6-[6-[3-(5-ethyl-5-hydroxy-6-methyloxan-2-yl)-3,10,12-trimethyl-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	C43H72O10
Molecular Weight	748.5126 g/mol
LogP	7.4632
Topological Polar Surface Area	140.98 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	9
Rotatable Bonds	12
Exact Mass	748.5126
Monoisotopic Mass	748.5126
Heavy Atoms	53
Complexity	1321.5143

Chemical Identifiers

CAS Number	70022-35-4
SMILES	CCC(C1C(CC(C(O1)C(C)C(C(C)C(=O)C(CC)C2C(CC(C3(O2)C=CCC4(O3)CCC(O4)(C)C5CCC(C(O5)C)(CC)O)C)C)O)C)C)C(=O)O