Milbemycin B, 5-demethoxy-28-deoxy-6,28-epoxy-25-methyl-5-oxo-, (6S,25R)-

Base Information

• Chemical Name: Milbemycin B, 5-demethoxy-28-deoxy-6,28-epoxy-25-methyl-5-oxo-, (6S,25R)-
• CAS No.: 86691-98-7
• Molecular Formula: C31H42O7
• Molecular Weight: 526.661
• Wikidata: Q104395600
• Metabolomics Workbench ID: 98319

Synonyms:Milbemycin B, 5-demethoxy-28-deoxy-6,28-epoxy-25-methyl-5-oxo-, (6S,25R)-;86691-98-7;Milbemycin J;SCHEMBL3691979;C31H42O7;C31-H42-O7

Chemical Property of Milbemycin B, 5-demethoxy-28-deoxy-6,28-epoxy-25-methyl-5-oxo-, (6S,25R)-

Chemical Property:

• Boiling Point: 725°Cat760mmHg
• Flash Point: 233.7°C
• Density: 1.21g/cm³
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 526.29305367
• Heavy Atom Count: 38
• Complexity: 1090

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC1CCC2(CC3CC(O2)CC=C(CC(C=CC=C4COC5C4(C(C=C(C5=O)C)C(=O)O3)O)C)C)OC1C
• Isomeric SMILES: C[C@H]1CC[C@]2(C[C@@H]3C[C@H](O2)C/C=C(/C[C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C(C5=O)C)C(=O)O3)O)C)\C)O[C@@H]1C

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