Emamectin
Category:
CAS:
Description:
Emamectin, also called as Proclaim, is widely used as an insecticide because of its chloride channel activation property.
| CID | 11549937 |
| Deprecated CAS | 137512-74-4, 179607-18-2, 137335-79-6, 111018-85-0, 139632-05-6, 139632-07-8 |
| Synonyms | (4''R)-4''-Deoxy-4''-(methylamino)avermectin B1; emamectin B1a |
| IUPAC Name | (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)-4-methoxy-5-[(2S,4S,5S,6S)-4-methoxy-6-methyl-5-(methylamino)oxan-2-yl]oxy-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 |
| Molecular Weight | 886.133 |
| Molecular Formula | C49H75NO13 |
| Canonical SMILES | CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)NC)OC)OC)C)C |
| InChI | InChI=1S/C49H75NO13/c1-12-26(2)44-29(5)18-19-48(63-44)24-35-21-34(62-48)17-16-28(4)43(27(3)14-13-15-33-25-56-46-42(51)30(6)20-36(47(52)59-35)49(33,46)53)60-40-23-38(55-11)45(32(8)58-40)61-39-22-37(54-10)41(50-9)31(7)57-39/h13-16,18-20,26-27,29,31-32,34-46,50-51,53H,12,17,21-25H2,1-11H3/b14-13+,28-16+,33-15+/t26-,27-,29-,31-,32-,34+,35-,36-,37-,38-,39-,40-,41-,42+,43-,44+,45-,46+,48+,49+/m0/s1 |
| InChIKey | CXEGAUYXQAKHKJ-NSBHKLITSA-N |
| 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)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)NC)OC)OC)\C)C |
| EC Number | 605-015-1 |
Producut details
| Formulation | 2%EC, 5%WDG |
| Grade | 70%TC |
| Appearance | White to off-white powder |
| Boiling Point | 935°C at 760 mmHg |
| Melting Point | 141-146°C |
| Water | In water, 0.024 g/L at 25 °C (pH 7) |
| Shelf Life | Limited shelf life, expiry date on the label |
Chemical and Physical Properties
| Density | 1.21 g/cm3 |
| Solubility | Soluble in Water |
| Complexity | 1750 |
| Exact Mass | 885.52384145 |
| Heavy Atom Count | 63 |
| Hydrogen Bond Acceptor Count | 14 |
| Hydrogen Bond Donor Count | 3 |
| Monoisotopic Mass | 885.52384145 |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 162 |
| XLogP3 | 4.1 |
Our products are chemical reagents for research use only and are not intended for human use.
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