≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Nemadectin, initially described as LL-F28249-a, is a macrocyclic lactone antibiotic demonstrating broad-spectrum endectocidal and nematocidal activity. Nemadectin bears structural similarity to the milbemycin and avermectin antibiotics, differing by the unsaturated side-chain extending from the 6,6-spiroketal core of the antibiotic. Nemadectin has demonstrated efficacy against the natural canine-infecting helminths and against ivermectin-resistant|Haemonchus contortus|in sheep.
| pKa | pKₐ: 12.46 (Predicted) |
|---|
| Canonical Smiles | CC1CC(=CCC2CC(CC3(O2)CC(C(C(O3)C(=CC(C)C)C)C)O)OC(=O)C4C=C(C(C5C4(C(=CC=C1)CO5)O)O)C)C |
|---|---|
| IUPAC Name | (1R,4S,4'S,5'S,6R,6'S,8R,10E,13R,14E,16E,20R,21R,24S)-4',21,24-trihydroxy-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one |
| InChIKey | YNFMRVVYUVPIAN-AQUURSMBSA-N |
| INCHI | 1S/C36H52O8/c1-20(2)13-24(6)32-25(7)30(37)18-35(44-32)17-28-16-27(43-35)12-11-22(4)14-21(3)9-8-10-26-19-41-33-31(38)23(5)15-29(34(39)42-28)36(26,33)40/h8-11,13,15,20-21,25,27-33,37-38,40H,12,14,16-19H2,1-7H3/b9-8+,22-11+,24-13+,26-10+/t21-,25-,27+,28-,29-,30-,31+,32+,33+,35-,36+/m0/s1 |
| Isomeric SMILES | C[C@@H]\1C/C(=C/C[C@@H]2C[C@@H](C[C@@]3(O2)C[C@@H]([C@@H]([C@H](O3)/C(=C/C(C)C)/C)C)O)OC(=O)[C@@H]4C=C([C@H]([C@@H]5[C@]4(/C(=C/C=C1)/CO5)O)O)C)/C |
| PubChem CID | 6436124 |
| Molecular Weight | 612.8 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Class | Macrolides and analogues |
| Subclass | Milbemycins |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Milbemycins |
| Alternative Parents | Ketals Oxanes Tertiary alcohols Oxolanes Secondary alcohols Lactones Carboxylic acid esters Polyols Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Milbemycin - Ketal - Oxane - Oxolane - Tertiary alcohol - Carboxylic acid ester - Lactone - Secondary alcohol - Polyol - Monocarboxylic acid or derivatives - Ether - Dialkyl ether - Acetal - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Alcohol - Carbonyl group - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as milbemycins. These are a group of macrolides with a structure containing a 16-membered lactone ring fused to a 1,7-dioxaspiroundecane ring system and to either a benzofuran (or hydrogenated derivative thereof). In some cases (e.g. Milbemycin E), the tetrahydrofuranyl ring is missing. Milbemycins can be o-glycosylated at C13 to form Avermectins. Milbemycins are produced by Streptomyces species. |
| External Descriptors | Not available |
| Solubility | Soluble in water (poor), ethanol, methanol, DMSO, and DMF. |
|---|---|
| Refractive Index | n20D1.58 (Predicted) |
| Boil Point(°C) | ~789.4° C at 760 (Predicted) |
| Molecular Weight | 612.800 g/mol |
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 2 |
| Exact Mass | 612.366 Da |
| Monoisotopic Mass | 612.366 Da |
| Topological Polar Surface Area | 115.000 Ų |
| Heavy Atom Count | 44 |
| Formal Charge | 0 |
| Complexity | 1240.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 11 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 4 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 4 |
| Covalently-Bonded Unit Count | 1 |
