Avermectin A1a, 22,23-dihydro-23-hydroxy-, (23S)-

Base Information

• Chemical Name: Avermectin A1a, 22,23-dihydro-23-hydroxy-, (23S)-
• CAS No.: 65195-53-1
• Molecular Formula: C49H76O15
• Molecular Weight: 905.1187
• European Community (EC) Number: 810-304-2
• Mol file: 65195-53-1.mol

Synonyms:Avermectin A2a;Antibiotic C 076A2a;65195-53-1;L 676893;Avermectin A1a, 22,23-dihydro-23-hydroxy-, (23S)-;(1R,4S,5'S,6R,6'R,8R,10Z,12S,13S,14Z,16Z,20R,21R,24S)-6'-[(2S)-Butan-2-yl]-4',24-dihydroxy-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-21-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;C49H76O15;C49-H76-O15

Chemical Property of Avermectin A1a, 22,23-dihydro-23-hydroxy-, (23S)-

Chemical Property:

• Boiling Point: 952.2°Cat760mmHg
• Flash Point: 268.4°C
• PSA: 179.29000
• Density: 1.23g/cm³
• LogP: 5.22630
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 9
• Exact Mass: 904.51842171
• Heavy Atom Count: 64
• Complexity: 1730

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(C5OC)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)O)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]5OC)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)/C)O)C