Averectin B1a 8,9-oxide

Base Information

• Chemical Name: Averectin B1a 8,9-oxide
• CAS No.: 98734-60-2
• Molecular Weight: 889.07628
• Mol file: 98734-60-2.mol

Synonyms:Averectin B1a 8,9-oxide;Avermectin A1a, 5-O-demethyl-8,9-epoxy-8,9-dihydro-, (8R,9S)-;98734-60-2

Chemical Property of Averectin B1a 8,9-oxide

Chemical Property:

• XLogP3: 3.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 8
• Exact Mass: 888.48712159
• Heavy Atom Count: 63
• Complexity: 1770

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC4C5(O4)COC6C5(C(C=C(C6O)C)C(=O)O3)O)C)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)O)OC)OC)C)C
• Isomeric SMILES: CCC(C)C1[C@@H](C=C[C@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/C([C@H](/C=C/C4C5(O4)CO[C@H]6[C@@]5(C(C=C([C@H]6O)C)C(=O)O3)O)C)OC7CC(C(C(O7)C)OC8CC(C(C(O8)C)O)OC)OC)\C)C