Taxinine B

Base Information

• Chemical Name: Taxinine B
• CAS No.: 18457-44-8
• Molecular Formula: C37H44O11
• Molecular Weight: 664.74
• DSSTox Substance ID: DTXSID701346602
• Nikkaji Number: J838.336G
• Wikidata: Q104247055
• Metabolomics Workbench ID: 130144
• ChEMBL ID: CHEMBL308259
• Mol file: 18457-44-8.mol

Synonyms:Taxinine B;18457-44-8;[(1R,2R,3R,5S,7S,8S,9R,10R)-2,7,9,10-tetraacetyloxy-8,12,15,15-tetramethyl-4-methylidene-13-oxo-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] (E)-3-phenylprop-2-enoate;CHEMBL308259;DTXSID701346602;AKOS040762406;FS-10506

Chemical Property of Taxinine B

Chemical Property:

• PSA: 148.57000
• LogP: 4.86610
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 12
• Exact Mass: 664.28836222
• Heavy Atom Count: 48
• Complexity: 1410

Purity/Quality:

98%min ^*data from raw suppliers

TaxinineB 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C2C(C(C3(C(CC(C(=C)C3C(C(C2(C)C)CC1=O)OC(=O)C)OC(=O)C=CC4=CC=CC=C4)OC(=O)C)C)OC(=O)C)OC(=O)C
• Isomeric SMILES: CC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H](C(=C)[C@H]3[C@@H]([C@@H](C2(C)C)CC1=O)OC(=O)C)OC(=O)/C=C/C4=CC=CC=C4)OC(=O)C)C)OC(=O)C)OC(=O)C

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