25-Cyclohexyl-4'-O-de(2,6-dideoxy-3-O-methyl-a-L-arabino-hexopyranosyl)-5-demethoxy-25-de(1-methylpropyl)-5-oxo-avermectin A1a
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- structure.search.product.name 25-Cyclohexyl-4'-O-de(2,6-dideoxy-3-O-methyl-a-L-arabino-hexopyranosyl)-5-demethoxy-25-de(1-methylpropyl)-5-oxo-avermectin A1a
- Product Code: TRC-C988228-50MG
- CAS Number: 404578-37-6
- Brand: TRC
Product Overview
Product Code
TRC-C988228-50MG
CAS Number
Product Format
Neat
Molecular Formula
C43H60O11
Molecular Weight
752.93
Product Categories
TRC, Pharmaceutical and Veterinary Residue Reference Materials , Pharmaceutical and veterinary compounds and metabolites Reference Materials , Pharmaceutical, Veterinary Compound & Metabolite Reference Materials
Product Type
MetaboliteDocumentation
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Product Information
Chemical Data
Analyte Name
25-Cyclohexyl-4'-O-de(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)-5-demethoxy-25-de(1-methylpropyl)-5-oxo-avermectin A1a
CAS Number
404578-37-6
Molecular Formula
C43H60O11
Molecular Weight
752.93
Accurate Mass
752.41
SMILES
C/C([C@@H](O[C@@]1([H])C[C@H](OC)[C@@H](O)[C@H](C)O1)[C@@H](C)/C=C/C=C(CO2)/[C@@]([C@@]2([H])C(C(C)=C3)=O)(O)[C@]3([H])C4=O)=C\C[C@@]5(C[C@H](O4)C[C@@]6(O[C@@](C7CCCCC7)([H])[C@@H](C)C=C6)O5)[H]
InChI
InChI=1S/C43H60O11/c1-24-11-10-14-30-23-49-40-36(44)27(4)19-33(43(30,40)47)41(46)51-32-20-31(16-15-25(2)38(24)52-35-21-34(48-6)37(45)28(5)50-35)53-42(22-32)18-17-26(3)39(54-42)29-12-8-7-9-13-29/h10-11,14-15,17-19,24,26,28-29,31-35,37-40,45,47H,7-9,12-13,16,20-23H2,1-6H3/b11-10+,25-15+,30-14+/t24-,26-,28-,31+,32-,33-,34-,35-,37-,38-,39-,40+,42+,43+/m0/s1
IUPAC
(2S,2a'E,2a1'S,4'E,5S,6R,6'S,7'S,8'E,11'R,15'S,17a'R,20a'S)-6-cyclohexyl-2a1'-hydroxy-7'-(((2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-5,6',8',19'-tetramethyl-2a1',5,6,6',7',10',11',14',15',20a'-decahydro-2'H,17'H-spiro[pyran-2,13'-[11,15]methano[1,5]dioxacyclooctadecino[9,8,7-cd]benzofuran]-17',20'(17a'H)-dione
Product Data
Storage Temperature
-20°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Type
Metabolite
Product Format
Neat
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