Eprinomectin B1b-13CD3

Analyte Name

Eprinomectin B1b-13CD3

Molecular Formula

C48¹³CH70D3NO14

Molecular Weight

904.11

Accurate Mass

903.53

SMILES

O=C(N[C@H]1[C@@H](OC)C[C@@](O[C@@H]2[C@@H](OC)C[C@]([H])(O[C@@H]([C@@H](C)/C=C/C=C3CO[C@@]4([H])[C@]\3(O)[C@@]5([H])C=C(C)[C@H]4O)/C(C)=C/C[C@@]6([H])O[C@@]7(C=C[C@H](C)[C@@H](C(C)C)O7)C[C@](OC5=O)([H])C6)O[C@H]2C)([H])O[C@H]1C)[13C]([2H])([2H])[2H]

InChI

InChI=1S/C49H73NO14/c1-25(2)43-28(5)17-18-48(64-43)23-35-20-34(63-48)16-15-27(4)44(26(3)13-12-14-33-24-57-46-42(52)29(6)19-36(47(53)60-35)49(33,46)54)61-40-22-38(56-11)45(31(8)59-40)62-39-21-37(55-10)41(30(7)58-39)50-32(9)51/h12-15,17-19,25-26,28,30-31,34-46,52,54H,16,20-24H2,1-11H3,(H,50,51)/b13-12+,27-15+,33-14+/t26-,28-,30-,31-,34+,35-,36-,37-,38-,39-,40-,41+,42+,43+,44-,45-,46+,48+,49+/m0/s1/i9+1D3

IUPAC

N-((2S,3R,4S,6S)-6-(((2S,3S,4S,6R)-6-(((2S,2a'E,2a1'S,4'E,5S,6R,6'S,7'S,8'E,11'R,15'S,17a'R,20'R,20a'R)-2a1',20'-dihydroxy-6-isopropyl-5,6',8',19'-tetramethyl-17'-oxo-2a1',5,6,6',10',11',14',15',17',17a',20',20a'-dodecahydro-2'H,7'H-spiro[pyran-2,13'-[11,15]methano[1,5]dioxacyclooctadecino[9,8,7-cd]benzofuran]-7'-yl)oxy)-4-methoxy-2-methyltetrahydro-2H-pyran-3-yl)oxy)-4-methoxy-2-methyltetrahydro-2H-pyran-3-yl)acetamide-2-13C-2,2,2-d3

SIL Type

Carbon, Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat