Nom de l'analyte

8a-Oxo Eprinomectin

Formule moléculaire

C50H73NO15

Poids moléculaire

928.13

Masse précise

927.5

SMILES

C/C([C@H]([C@@H](C)/C=C/C=C1C(O[C@@]2([H])[C@]\1(O)[C@@](C(O3)=O)([H])C=C(C)[C@H]2O)=O)O[C@@]4([H])C[C@H](OC)[C@@H](O[C@@]5([H])C[C@H](OC)[C@H](NC(C)=O)[C@H](C)O5)[C@H](C)O4)=C\C[C@]6([H])C[C@H]3C[C@@]7(O[C@]([H])([C@@](CC)([H])C)[C@@H](C)C=C7)O6

InChI

InChI=1S/C50H73NO15/c1-12-25(2)44-28(5)18-19-49(66-44)24-34-21-33(65-49)17-16-27(4)43(26(3)14-13-15-35-47(54)64-46-42(53)29(6)20-36(48(55)61-34)50(35,46)56)62-40-23-38(58-11)45(31(8)60-40)63-39-22-37(57-10)41(30(7)59-39)51-32(9)52/h13-16,18-20,25-26,28,30-31,33-34,36-46,53,56H,12,17,21-24H2,1-11H3,(H,51,52)/b14-13+,27-16+,35-15+/t25-,26-,28-,30-,31-,33+,34-,36-,37-,38-,39-,40-,41+,42+,43-,44+,45-,46+,49+,50+/m0/s1

IUPAC

N-((2S,3R,4S,6S)-6-(((2S,3S,4S,6R)-6-(((2S,2a'Z,2a1'S,4'E,5S,6R,6'S,7'S,8'E,11'R,15'S,17a'R,20'R,20a'R)-6-((S)-sec-butyl)-2a1',20'-dihydroxy-5,6',8',19'-tetramethyl-2',17'-dioxo-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

Pays d'origine

CANADA

Présentation du produit

Neat