2-Deacetyltaxachitriene A
[(1R,2S,5S,7S,8Z,10R,13S)-7,9,10,13-tetraacetyloxy-2,5-dihydroxy-8,12,15,15-tetramethyl-4-bicyclo[9.3.1]pentadeca-3,8,11-trienyl]methyl acetate
Also Known As: 2-Deacetyltaxachitriene A|[(1R,2S,5S,7S,8Z,10R,13S)-7,9,10,13-tetraacetyloxy-2,5-dihydroxy-8,12,15,15-tetramethyl-4-bicyclo[9.3.1]pentadeca-3,8,11-trienyl]methyl acetate
CAS: 214769-96-7
| Molecular Formula | C30H42O12 |
|---|---|
| Molecular Weight | 594.26764 g/mol |
| LogP | 2.5962 |
| Topological Polar Surface Area | 171.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 594.26764 |
| Monoisotopic Mass | 594.26764 |
| Heavy Atoms | 42 |
| Complexity | 1190.5864 |
Chemical Identifiers
| CAS Number | 214769-96-7 |
|---|---|
| SMILES | CC1=C2[C@H](/C(=C(/[C@H](C[C@@H](C(=C[C@@H]([C@@H](C2(C)C)C[C@@H]1OC(=O)C)O)COC(=O)C)O)OC(=O)C)\C)/OC(=O)C)OC(=O)C |
Product Overview
2-Deacetyltaxachitriene A (CAS 214769-96-7), with molecular formula C30H42O12 and molecular weight 594.26764 g/mol. IUPAC: [(1R,2S,5S,7S,8Z,10R,13S)-7,9,10,13-tetraacetyloxy-2,5-dihydroxy-8,12,15,15-tetramethyl-4-bicyclo[9.3.1]pentadeca-3,8,11-trienyl]methyl acetate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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