Leucomycin A3

PubChem Notes:

Josamycin A macrolide antibiotic from Streptomyces narbonensis. The drug has antimicrobial activity against a wide spectrum of pathogens.

Molecular Formula: C₄₂H₆₉NO₁₅

InChI: InChI=1/C42H69NO15/c1-12-23(2)40(49)58-39-27(6)53-33(22-42(39,8)50)56-36-26(5)54-41(35(48)34(36)43(9)10)57-37-29(18-19-44)20-24(3)30(46)17-15-13-14-16-25(4)52-32(47)21-31(38(37)51-11)55-28(7)45/h13-15,17,19,23-27,29-31,33-39,41,46,48,50H,12,16,18,20-22H2,1-11H3/b14-13+,17-15+/t23u,24-,25-,26-,27+,29+,30+,31-,33+,34-,35-,36-,37+,38+,39+,41+,42-/m1/s1

InChIKey: InChIKey=NEFNZQKHWHIOKU-CIUCWALWBJ
SMILES: CCC(C)C(=O)OC1C(OC(CC1(C)O)OC2C(OC(C(C2N(C)C)O)OC3C(CC(C(C=CC=CCC(OC(=O)CC(C3OC)OC(=O)C)C)O)C)CC=O)C)C

Names:
    Leucomycin A3
    NSC116068
    16846-24-5
    [(2S,3S,4R,6R)-6-[(2R,3S,4R,5R,6R)-6-[[(2R,4E,6E,8R,9R,11R,12S,13R,14R)-14-acetyloxy-8-hydroxy-13-methoxy-2,9-dimethyl-16-oxo-11-(2-oxoethyl)-1-oxacyclohexadeca-4,6-dien-12-yl]oxy]-4-dimethylamino-5-hydroxy-2-methyl-oxan-3-yl]oxy-4-hydroxy-2,4-dimethyl-oxan-3-yl] 2-methylbutanoate

Registries:
PubChem CID 5458219
PubChem ID 8140050