Analyte Name

10-Deacetyl-7,13-dimethyl Baccatin III

Molecular Formula

C31 H40 O10

Molecular Weight

572.643

Accurate Mass

572.262

SMILES

CO[C@H]1CC2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]4[C@@]5(CO[C@@H]5C[C@H](OC)[C@@]4(C)C(=O)[C@H](O)C(=C1C)C2(C)C)OC(=O)C

InChI

InChI=1S/C31H40O10/c1-16-19(37-6)14-31(36)26(40-27(35)18-11-9-8-10-12-18)24-29(5,25(34)23(33)22(16)28(31,3)4)20(38-7)13-21-30(24,15-39-21)41-17(2)32/h8-12,19-21,23-24,26,33,36H,13-15H2,1-7H3/t19-,20-,21+,23+,24-,26-,29+,30-,31?/m0/s1

IUPAC

[(2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1,12-dihydroxy-9,15-dimethoxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat