21-Hydroxyl-oligomycin A

Base Information

• Chemical Name: 21-Hydroxyl-oligomycin A
• CAS No.: 102042-09-1
• Molecular Formula: C45H74 O12
• Molecular Weight: 807.06
• Hs Code.: 29419000
• Wikidata: Q105209564
• Mol file: 102042-09-1.mol

Synonyms:21-hydroxyl-oligomycin A;21-hydroxyoligomycin A

Chemical Property of 21-Hydroxyl-oligomycin A

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 913.7°Cat760mmHg
• Flash Point: 260.4°C
• PSA: 200.28000
• Density: 1.17g/cm³
• LogP: 4.85340
• Solubility.: Soluble in DMSO
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 3
• Exact Mass: 806.51802779
• Heavy Atom Count: 57
• Complexity: 1440

Purity/Quality:

98%min ^*data from raw suppliers

21-HydroxyoligomycinA ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1C=CC=CCC(C(C(C(=O)C(C(C(C(=O)C(C(C(C=CC(=O)OC2CC(CC1O)OC3(C2C)CCC(C(O3)CC(C)O)C)C)O)C)C)O)C)(C)O)(C)O)C
• Isomeric SMILES: CC[C@H]1/C=C/C=C/C[C@H]([C@]([C@@](C(=O)[C@H]([C@@H]([C@H](C(=O)[C@H]([C@@H]([C@H](/C=C/C(=O)OC2CC(CC1O)OC3([C@H]2C)CC[C@@H]([C@@H](O3)C[C@@H](C)O)C)C)O)C)C)O)C)(C)O)(C)O)C
• Uses: 21-Hydroxyoligomycin A is a rare member of the oligomycin class isolated as a co-metabolite of nemadectin, hence its original naming as nemadectin omega. Only limited literature references to this metabolite are available. However, in-house testing suggests that 21-hydroxyoligomycin has a more selective action against mammalian tumour cell lines than oligomycin A, exhibiting only weak antifungal and nematocidal activity. 21-Hydroxyoligomycin A is an oligomycin antibiotic coisolated with nemadectins.