Analyte Name

5-O-[(2-Propenyloxy)carbonyl] O'-TMS Eprinomectin-13CD3

Molecular Formula

13C C56 D3 H85 N O16 Si

Molecular Weight

1075.402

Accurate Mass

1074.609

SMILES

[2H]C([2H])([2H])[13C](=O)N[C@@H]1[C@H](C)O[C@H](C[C@@H]1OC)O[C@H]2[C@H](C)O[C@H](C[C@@H]2OC)O[C@H]3[C@@H](C)\C=C\C=C\4/CO[C@@H]5[C@H](OC(=O)OCC=C)C(=C[C@@H](C(=O)O[C@H]6C[C@@H](C\C=C\3/C)O[C@@]7(C6)O[C@H]([C@@H](C)CC)[C@@H](C)C=C7)[C@]45[OH][Si](C)(C)C)C

InChI

InChI=1S/C57H88NO16Si/c1-16-25-64-55(61)71-51-36(7)26-43-54(60)68-42-27-41(72-56(30-42)24-23-35(6)50(73-56)32(3)17-2)22-21-34(5)49(33(4)19-18-20-40-31-65-53(51)57(40,43)74-75(13,14)15)69-47-29-45(63-12)52(38(9)67-47)70-46-28-44(62-11)48(37(8)66-46)58-39(10)59/h16,18-21,23-24,26,32-33,35,37-38,41-53,74H,1,17,22,25,27-31H2,2-15H3,(H,58,59)/b19-18+,34-21+,40-20+/t32-,33-,35-,37-,38-,41+,42-,43-,44-,45-,46-,47-,48+,49-,50+,51+,52-,53+,56+,57+/m0/s1/i10D3,39+1

IUPAC

[(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-12'-[(2R,4S,5S,6S)-4-methoxy-5-[(2S,4S,5R,6S)-4-methoxy-6-methyl-5-[(2,2,2-trideuterioacetyl)amino]oxan-2-yl]oxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethyl-2'-oxo-24'-(trimethylsilyl-?3-oxidanyl)spiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-21'-yl] prop-2-enyl carbonate

SIL Type

Carbon, Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat