Analyte Name

N-Boc-Valnemulin

Molecular Formula

C36 H60 N2 O7 S

Molecular Weight

664.936

Accurate Mass

664.412

SMILES

CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(C)(C)SCC(=O)O[C@@H]1C[C@@](C)(C=C)[C@@H](O)[C@H](C)[C@@]23CC[C@@H](C)[C@]1(C)[C@@H]2C(=O)CC3

InChI

InChI=1S/C36H60N2O7S/c1-13-34(11)18-25(35(12)22(4)14-16-36(23(5)29(34)41)17-15-24(39)28(35)36)44-26(40)19-46-33(9,10)20-37-30(42)27(21(2)3)38-31(43)45-32(6,7)8/h13,21-23,25,27-29,41H,1,14-20H2,2-12H3,(H,37,42)(H,38,43)/t22-,23+,25-,27-,28+,29+,34-,35+,36+/m1/s1

IUPAC

[(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[2-methyl-1-[[(2R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]propan-2-yl]sulfanylacetate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat