Analyte Name

Ivermectin B1b-d2

Molecular Formula

C47H70D2O14

Molecular Weight

863.09

Accurate Mass

862.5

SMILES

C[C@H](O1)[C@H](O[C@]2([H])O[C@@H](C)[C@H](O)[C@@H](OC)C2)[C@@H](OC)C[C@]1([H])O[C@@H]([C@@H](C)/C=C/C=C3[C@@]4(O)[C@@]5([H])C=C(C)[C@@H](O)[C@@]4([H])OC/3)/C(C)=C/C[C@]6([H])C[C@](C[C@]7(C([2H])C([2H])[C@H](C)[C@@H](C(C)C)O7)O6)([H])OC5=O

InChI

InChI=1S/C47H72O14/c1-24(2)41-27(5)16-17-46(61-41)22-33-19-32(60-46)15-14-26(4)42(25(3)12-11-13-31-23-54-44-39(48)28(6)18-34(45(50)57-33)47(31,44)51)58-38-21-36(53-10)43(30(8)56-38)59-37-20-35(52-9)40(49)29(7)55-37/h11-14,18,24-25,27,29-30,32-44,48-49,51H,15-17,19-23H2,1-10H3/b12-11+,26-14+,31-13+/t25-,27-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42-,43-,44+,46+,47+/m0/s1/i16D,17D/t16?,17?,25-,27-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42-,43-,44+,46+,47+

IUPAC

(2R,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-7'-(((2R,4S,5S,6S)-5-(((2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6-isopropyl-5,6',8',19'-tetramethyl-2a1',3,4,5,6,6',7',10',11',14',15',17a',20',20a'-tetradecahydro-2'H,17'H-spiro[pyran-2,13'-[11,15]methano[1,5]dioxacyclooctadecino[9,8,7-cd]benzofuran]-17'-one-3,4-d2

Unlabelled CAS Number

70209-81-3

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Analytical Method

HPLC