23-Keto Nemadectin (Desmethoxyamino Moxidectin)

Analyte Name

23-Keto Nemadectin (Desmethoxyamino Moxidectin)

CAS Number

112124-81-9

Molecular Formula

C36H50O8

Molecular Weight

610.78

Accurate Mass

610.35

SMILES

C/C(C[C@@H](C)/C=C/C=C(CO1)/[C@]2(O)[C@@]1([H])[C@H](O)C(C)=C[C@@]2([H])C3=O)=C\C[C@]4([H])C[C@@](O3)([H])C[C@@]5(O[C@H](/C(C)=C/C(C)C)[C@@H](C)C(C5)=O)O4

InChI

InChI=1S/C36H50O8/c1-20(2)13-24(6)32-25(7)30(37)18-35(44-32)17-28-16-27(43-35)12-11-22(4)14-21(3)9-8-10-26-19-41-33-31(38)23(5)15-29(34(39)42-28)36(26,33)40/h8-11,13,15,20-21,25,27-29,31-33,38,40H,12,14,16-19H2,1-7H3/b9-8+,22-11+,24-13+,26-10+/t21-,25-,27+,28-,29-,31+,32+,33+,35-,36+/m0/s1

IUPAC

(2S,2a'E,2a1'S,4'E,5R,6S,6'R,8'E,11'R,15'S,17a'R,20'R,20a'R)-2a1',20'-dihydroxy-5,6',8',19'-tetramethyl-6-((E)-4-methylpent-2-en-2-yl)-2a1',5,6,6',7',10',11',14',15',17a',20',20a'-dodecahydro-2'H,17'H-spiro[pyran-2,13'-[11,15]methano[1,5]dioxacyclooctadecino[9,8,7-cd]benzofuran]-4,17'(3H)-dione

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

Purity

>95% (HPLC)