Analyte Name

6-Hydroxy-12,12a-seco-tigecyclin-12-oic Acid 6,12-Lactone

Molecular Formula

C30 H38 N4 O9

Molecular Weight

598.644

Accurate Mass

598.264

SMILES

CC(C)c1cc(NC(=O)CNC(C)(C)C)c(O)c2C(=O)C3[C@@H](Cc4c(O)c(O)c(C(=O)N)c(O)c4N(C)C)C(OC3=O)c12

InChI

InChI=1S/C30H38N4O9/c1-11(2)12-9-15(33-16(35)10-32-30(3,4)5)23(37)19-17(12)27-13(18(24(19)38)29(42)43-27)8-14-21(34(6)7)25(39)20(28(31)41)26(40)22(14)36/h9,11,13,18,27,32,36-37,39-40H,8,10H2,1-7H3,(H2,31,41)(H,33,35)/t13-,18?,27?/m1/s1

IUPAC

4-[[(12R)-5-[[2-(tert-butylamino)acetyl]amino]-6-hydroxy-8,10-dioxo-3-propan-2-yl-11-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-12-yl]methyl]-3-(dimethylamino)-2,5,6-trihydroxybenzamide

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat