Baccatin VI
[(1S,2S,3R,4S,7R,9S,10S,11S,12R,15S)-4,9,11,12,15-pentaacetyloxy-1-hydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Also Known As: Baccatin VI
CAS: 57672-79-4
| Molecular Formula | C37H46O14 |
|---|---|
| Molecular Weight | 714.28876 g/mol |
| LogP | 3.1568 |
| Topological Polar Surface Area | 187.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 714.28876 |
| Monoisotopic Mass | 714.28876 |
| Heavy Atoms | 51 |
| Complexity | 1648.8108 |
Chemical Identifiers
| CAS Number | 57672-79-4 |
|---|---|
| SMILES | CC1=C2[C@H]([C@H]([C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)C)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C |
Product Overview
Baccatin VI (CAS 57672-79-4), with molecular formula C37H46O14 and molecular weight 714.28876 g/mol. IUPAC: [(1S,2S,3R,4S,7R,9S,10S,11S,12R,15S)-4,9,11,12,15-pentaacetyloxy-1-hydroxy-10,14,17,17-tetramethyl-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate.
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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