Tunicamycin VII

Name: Tunicamycin VII
CAS#: 66081-36-5
Chemical Formula: C39H64N4O16
Exact Mass: 844.4317
Molecular Weight: 844.953
Elemental Analysis: C, 55.44; H, 7.63; N, 6.63; O, 30.30

Description: Tunicamycin VII is a mixture of tunicamycin structural isomers that contains a 16-carbon N-acyl chain with variable branching patterns.

IUPAC/Chemical Name: (E)-N-((2S,3R,4R,5R,6R)-2-(((2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-6-((R)-2-((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)-2-hydroxyethyl)-4,5-dihydroxytetrahydro-2H-pyran-3-yl)-14-methylpentadec-2-enamide

InChi Key: ZOCXUHJGZXXIGQ-NPXWYGMKSA-N

InChi Code: InChI=1S/C39H64N4O16/c1-20(2)14-12-10-8-6-4-5-7-9-11-13-15-25(47)41-28-32(52)29(49)23(56-38(28)59-37-27(40-21(3)45)31(51)30(50)24(19-44)57-37)18-22(46)35-33(53)34(54)36(58-35)43-17-16-26(48)42-39(43)55/h13,15-17,20,22-24,27-38,44,46,49-54H,4-12,14,18-19H2,1-3H3,(H,40,45)(H,41,47)(H,42,48,55)/b15-13+/t22-,23-,24-,27-,28-,29+,30-,31-,32-,33+,34-,35-,36-,37-,38+/m1/s1

SMILES Code: CC(CCCCCCCCCC/C=C/C(N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O[C@H]2O[C@@H]([C@H]([C@@H]([C@H]2NC(C)=O)O)O)CO)C[C@H]([C@H]3O[C@@H](N4C=CC(NC4=O)=O)[C@@H]([C@@H]3O)O)O)O)O)=O)C

Appearance: Solid powder