10-Deacetyl Baccatin III
SPECIFICATION
| Catalog ID: | D-550 |
|---|---|
| CAS #: | 32981-86-5 |
| Formula: | C29H36O10 |
| MW: | 544.59 g/mol |
| Grade: | MOLECULAR BIOLOGY GRADE |
| Storage/handling: | Store at 4°C. |
| PubChem Chemical ID: | 154272 |
| IUPAC Name: | [(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: | InChI=1S/C29H36O10/c1-14-17(31)12-29(36)24(38-25(35)16-9-7-6-8-10-16)22-27(5,23(34)21(33)20(14)26(29,3)4)18(32)11-19-28(22,13-37-19)39-15(2)30/h6-10,17-19,21-22,24,31-33,36H,11-13H2,1-5H3/t17-,18-,19+,21+,22-,24-,27+,28-,29+/m0/s1 |
| InChIKey: | 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 |