Taxacin

Base Information

• Chemical Name: Taxacin
• CAS No.: 117229-54-6
• Molecular Formula: C44H48 O15
• Molecular Weight: 816.84
• ChEMBL ID: CHEMBL419801
• DSSTox Substance ID: DTXSID201346669
• Metabolomics Workbench ID: 131746
• Nikkaji Number: J778.936J
• Wikidata: Q104399312
• Mol file: 117229-54-6.mol

Synonyms:taxacin

Chemical Property of Taxacin

Chemical Property:

• PSA: 204.33000
• LogP: 3.88680
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 16
• Exact Mass: 816.29932082
• Heavy Atom Count: 59
• Complexity: 1740

Purity/Quality:

99% ^*data from raw suppliers

Taxacin 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1CC(C(=C)C2C1(C(C(C3(C4(COC3(C(=O)CC4C2OC(=O)C)C)C)O)OC(=O)C)OC(=O)C)COC(=O)C5=CC=CC=C5)OC(=O)C=CC6=CC=CC=C6
• Isomeric SMILES: CC(=O)O[C@H]1C[C@@H](C(=C)[C@@H]2[C@@]1([C@H]([C@@H]([C@@]3([C@]4(CO[C@@]3(C(=O)C[C@H]4[C@H]2OC(=O)C)C)C)O)OC(=O)C)OC(=O)C)COC(=O)C5=CC=CC=C5)OC(=O)/C=C/C6=CC=CC=C6