10-Deacetylbaccatin III
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12,15-tetrahydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
| Molecular Formula | C29H36O10 |
|---|---|
| Molecular Weight | 544.6 g/mol |
Chemical Identifiers
| CAS Number | 32981-86-5 |
|---|---|
| SMILES | CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O |
| InChIKey | YWLXLRUDGLRYDR-ZHPRIASZSA-N |
📖 Product Overview
10-Deacetylbaccatin III (CAS: 32981-86-5)
is a chemical compound with molecular formula C29H36O10
and molecular weight 544.6 g/mol.
Its IUPAC systematic name is [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,9,12,15-tetrahydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate.
InChI Key: YWLXLRUDGLRYDR-ZHPRIASZSA-N.
SMILES: CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C)O.
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