10-Deacetyltaxayunnanine A

Base Information

• Chemical Name: 10-Deacetyltaxayunnanine A
• CAS No.: 154677-95-9
• Molecular Weight: 805.91
• DSSTox Substance ID: DTXSID901315990
• Nikkaji Number: J624.348G
• Wikidata: Q104392908
• Metabolomics Workbench ID: 130491
• ChEMBL ID: CHEMBL311365
• Mol file: 154677-95-9.mol

Synonyms:10-Deacetyltaxol C;10-DEACETYLTAXAYUNNANINE A;10-Deacetyltaxol-C;10-deacetyl taxol C;CHEMBL311365;OUZGCGZMZBOCBH-MNLIZOKASA-N;DTXSID901315990;154677-95-9

Chemical Property of 10-Deacetyltaxayunnanine A

Chemical Property:

• Boiling Point: 932.7±65.0 °C(Predicted)
• PKA: 11.31±0.70(Predicted)
• Density: 1.35±0.1 g/cm3(Predicted)
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 15
• Exact Mass: 805.36734081
• Heavy Atom Count: 58
• Complexity: 1620

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCC(=O)NC(C1=CC=CC=C1)C(C(=O)OC2CC3(C(C4C(C(CC5C4(CO5)OC(=O)C)O)(C(=O)C(C(=C2C)C3(C)C)O)C)OC(=O)C6=CC=CC=C6)O)O
• Isomeric SMILES: CCCCCC(=O)N[C@@H](C1=CC=CC=C1)[C@H](C(=O)O[C@H]2C[C@]3([C@H]([C@H]4[C@@]([C@H](C[C@@H]5[C@]4(CO5)OC(=O)C)O)(C(=O)[C@@H](C(=C2C)C3(C)C)O)C)OC(=O)C6=CC=CC=C6)O)O