7-O-Methyl Ivermectin B1a
Product Code
TRC-M323348
Product Format
Neat
Molecular Formula
C49 H76 O14
Molecular Weight
889.119
Product Categories
Product Type
ImpurityDocumentation
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Product Information
Chemical Data
Analyte Name
7-O-Methyl Ivermectin B1A
Molecular Formula
C49 H76 O14
Molecular Weight
889.119
Accurate Mass
888.524
SMILES
CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]3C[C@@H](C\C=C(/C)\[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)\C=C\C=C\6/CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@]67OC)C)O2
InChI
InChI=1S/C49H76O14/c1-12-26(2)44-29(5)18-19-48(63-44)24-35-21-34(62-48)17-16-28(4)43(60-40-23-38(54-10)45(32(8)58-40)61-39-22-37(53-9)42(51)31(7)57-39)27(3)14-13-15-33-25-56-46-41(50)30(6)20-36(47(52)59-35)49(33,46)55-11/h13-16,20,26-27,29,31-32,34-46,50-51H,12,17-19,21-25H2,1-11H3/b14-13+,28-16+,33-15+/t26-,27-,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41+,42-,43-,44+,45-,46+,48+,49+/m0/s1
IUPAC
(1R,4S,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21R,24S)-6'-[(2S)-butan-2-yl]-21-hydroxy-12-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-24-methoxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat