23-Keto nemadectin

Base Information

• Chemical Name: 23-Keto nemadectin
• CAS No.: 112124-81-9
• Molecular Formula: C₃₆H₅₀O₈
• Molecular Weight: 610.788
• UNII: U8UGZ945KD
• Mol file: 112124-81-9.mol

Synonyms:23-Keto nemadectin;112124-81-9;UNII-U8UGZ945KD;U8UGZ945KD;23-Keto Nemadectin (Desmethoxyamino Moxidectin);23-Desmethoxyamino-23-oxo moxidectin;Moxidectin metabolite V (oxidation metabolite);(1R,4S,5'R,6S,6'S,8R,10E,13R,14E,16E,20R,21R,24S)-21,24-dihydroxy-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]-2,4'-dione;(6R,25S)-5-O-Demethyl-28-deoxy-25-((1E)-1,3-dimethyl-1-buten-1-yl)-6,28-epoxy-23-oxomilbemycin B;Milbemycin B, 5-O-demethyl-28-deoxy-25-((1E)-1,3-dimethyl-1-buten-1-yl)-6,28-epoxy-23-oxo-, (6R,25S)-;Milbemycin B, 5-O-demethyl-28-deoxy-25-(1,3-dimethyl-1-butenyl)-6,28-epoxy-23-oxo-, (6R,25S(E))-;SCHEMBL20258539;Spiro(11,15-methano-2H,13H,17H-furo(4,3,2-pq)(2,6)benzodioxacyclooctadecin-13,2'-(2H)pyran), milbemycin B deriv.

Chemical Property of 23-Keto nemadectin

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 610.35056855
• Heavy Atom Count: 44
• Complexity: 1290

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1CC(=CCC2CC(CC3(O2)CC(=O)C(C(O3)C(=CC(C)C)C)C)OC(=O)C4C=C(C(C5C4(C(=CC=C1)CO5)O)O)C)C
• Isomeric SMILES: C[C@@H]\1C/C(=C/C[C@@H]2C[C@@H](C[C@@]3(O2)CC(=O)[C@@H]([C@H](O3)/C(=C/C(C)C)/C)C)OC(=O)[C@@H]4C=C([C@H]([C@@H]5[C@]4(/C(=C/C=C1)/CO5)O)O)C)/C