Ivermectin B1a-D2
Product Code
TRC-I940817
Product Format
Neat
Molecular Formula
C48H72D2O14
Molecular Weight
877.11
Product Categories
TRC, Stable isotopes, Stable Isotope Labelled Analytical Standards, Pharmaceutical Toxicology Reference Materials
Product Type
Stable Isotope LabelledUnlabelled CAS Number
Documentation
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Product Information
Chemical Data
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
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
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