Ivermectin B1a-D2

Analyte Name

Ivermectin B1a-D2

Molecular Formula

C48H72D2O14

Molecular Weight

877.11

Accurate Mass

876.52

SMILES

[H][C@@]1(O[C@H]2[C@H](C)O[C@@]([H])(O[C@H](/C(C)=C/C[C@]3([H])C[C@H]4C[C@@]5(O[C@]([H])([C@@](CC)([H])C)[C@@H](C)C([2H])C5[2H])O3)[C@@H](C)/C=C/C=C6CO[C@@]7([H])[C@]\6(O)[C@@](C(O4)=O)([H])C=C(C)[C@H]7O)C[C@@H]2OC)O[C@@H](C)[C@H](O)[C@@H](OC)C1

InChI

InChI=1S/C48H74O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,19,25-26,28,30-31,33-45,49-50,52H,11,16-18,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+/m0/s1/i17D,18D/t17?,18?,25-,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+

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)-6-((S)-sec-butyl)-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)-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

71827-03-7

SIL Type

Deuterium

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Ivermectin