(4''R)-4''-(Acetylamino)-26-(benzoyloxy)-5-O-demethyl-4''-deoxyavermectin A1a

Base Information

• Chemical Name: (4''R)-4''-(Acetylamino)-26-(benzoyloxy)-5-O-demethyl-4''-deoxyavermectin A1a
• CAS No.: 148864-94-2
• Molecular Formula: C57H79 N O16
• Molecular Weight: 1034.37
• Mol file: 148864-94-2.mol

Synonyms:(4''R)-4''-(Acetylamino)-26-(benzoyloxy)-5-O-demethyl-4''-deoxyavermectin A1a;Avermectin A1a, 4''-(acetylamino)-26-(benzoyloxy)-5-O-demethyl-4''-deoxy-, (4''R)-;148864-94-2;C57H79NO16;C57-H79-N-O16;LS-22264

Chemical Property of (4''R)-4''-(Acetylamino)-26-(benzoyloxy)-5-O-demethyl-4''-deoxyavermectin A1a

Chemical Property:

• XLogP3: 4.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 13
• Exact Mass: 1033.53988543
• Heavy Atom Count: 74
• Complexity: 2120

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)COC(=O)C6=CC=CC=C6)C(=O)O3)O)C)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)NC(=O)C)OC)OC)C)C
• Isomeric SMILES: CC[C@H](C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)COC(=O)C6=CC=CC=C6)C(=O)O3)O)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O[C@H]8C[C@@H]([C@@H]([C@@H](O8)C)NC(=O)C)OC)OC)\C)C