| CAS Number | 113665-89-7 |
| Catalog Number | AG009UEJ(AGN-PC-0P56SU) |
| Chemical Name | 8,9-Z-Abamectin B1a |
| IUPAC Name | (2R,3S,4'S,6S,8'R,10'E,13'S,14'E,16'E,20'R,21'R,24'S)-2-butan-2-yl-21',24'-dihydroxy-12'-[5-(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 |
| InChI | InChI=1S/C48H72O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3/b13-12+,27-15+,32-14+/t25?,26-,28-,30?,31?,33+,34-,35?,36?,37?,38?,39?,40+,41?,42?,43+,44?,45+,47+,48+/m0/s1 |
| InChI Key | RRZXIRBKKLTSOM-NJRQVPCTSA-N |
| MDL Number | MFCD03701302 |
| Molecular Formula | C48H72O14 |
| Molecular Weight | 873.0769 |
| SMILES | CC[C@H](C)[C@H]1O[C@@]2(C[C@@H]3C[C@@H](CC=C(/C)[C@@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)[C@@H](C)C=CC=C/6CO[C@@H]7[C@H](O)C(=C[C@@H](C(=O)O3)[C@]67O)C)O2)C=C[C@@H]1C |
| Synonyms | 8,9-Z-Abamectin B1a,
Avermectin A1a, 5-O-demethyl-, (8Z)-,
113665-89-7,
Avermectin B(1)a,
RRZXIRBKKLTSOM-NJRQVPCTSA-N,
CID6443270,
|