N-Desacetyl-2,3,4-tri-O-acetyl Thiocolchicoside-N-2,2,2-trifluoroacetaldehyde

Analyte Name

N-Desacetyl-2,3,4-tri-O-acetyl Thiocolchicoside-N-2,2,2-trifluoroacetaldehyde

Molecular Formula

C35 H38 F3 N O14 S

Molecular Weight

785.735

Accurate Mass

785.197

SMILES

COc1c(O[C@@H]2O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)C2OC(=O)C)cc3CC[C@H](NC(=O)C(F)(F)F)C4=CC(=O)C(=CC=C4c3c1OC)SC

InChI

InChI=1S/C35H38F3NO14S/c1-15(40)48-14-25-29(49-16(2)41)31(50-17(3)42)32(51-18(4)43)33(53-25)52-24-12-19-8-10-22(39-34(45)35(36,37)38)21-13-23(44)26(54-7)11-9-20(21)27(19)30(47-6)28(24)46-5/h9,11-13,22,25,29,31-33H,8,10,14H2,1-7H3,(H,39,45)/t22-,25+,29+,31-,32?,33+/m0/s1

IUPAC

[(2R,3R,4S,6S)-3,4,5-triacetyloxy-6-[[(7S)-1,2-dimethoxy-10-methylsulfanyl-9-oxo-7-[(2,2,2-trifluoroacetyl)amino]-6,7-dihydro-5H-benzo[a]heptalen-3-yl]oxy]oxan-2-yl]methyl acetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat