Abamectin

(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-[(2S)-butan-2-yl]-21',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-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one;(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-21',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-3,11',13',22'-tetramethyl-2-propan-2-ylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one

Also Known As: Abamectin|avermectin B1|Avomec|Abamectina|Abamectine|Doratect|Duomectin|Bovitin|Duotin|Agri-Mek|Abamectinum|Parafoil|Vertimec|Vertimil|Agrimek|Endecto|Affirm|Zectin|Zephyr|Enzec|Enzek|Avid|Abamectin?|vertimec 18EC|Avermectin B(sub 1)|AVID EC|Avermectin B1 (Standard)|MK-936|ERK5-3I10|MK 936|AbaMectin (AverMectin B1)(FDA)|ABAMECTIN (avermectin B1a shown)|MK-0936|HY-15311R

Molecular Formula	C95H142O28
Molecular Weight	1730.9688 g/mol
LogP	10.3647
Topological Polar Surface Area	340.12 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	28
Rotatable Bonds	15
Exact Mass	1730.9688
Monoisotopic Mass	1731.9722
Heavy Atoms	123
Complexity	3922.1396

Chemical Identifiers

CAS Number

86753-29-9

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)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)C.C[C@H]1/C=C/C=C/2\CO[C@H]3[C@@]2([C@@H](C=C([C@H]3O)C)C(=O)O[C@H]4C[C@@H](C/C=C(/[C@H]1O[C@H]5C[C@@H]([C@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O)OC)OC)\C)O[C@]7(C4)C=C[C@@H]([C@H](O7)C(C)C)C)O