Analyte Name

4,10-Dediacetyl-7,10-dimethyl-4-propionyl Baccatin III-D6

Molecular Formula

C32 D6 H36 O10

Molecular Weight

592.707

Accurate Mass

592.315

SMILES

[2H]C([2H])([2H])O[C@H]1C[C@H]2OC[C@@]2(OC(=O)CC)[C@H]3[C@H](OC(=O)c4ccccc4)C5(O)C[C@H](O)C(=C([C@@H](OC([2H])([2H])[2H])C(=O)[C@]13C)C5(C)C)C

InChI

InChI=1S/C32H42O10/c1-8-22(34)42-31-16-40-21(31)14-20(38-6)30(5)25(31)27(41-28(36)18-12-10-9-11-13-18)32(37)15-19(33)17(2)23(29(32,3)4)24(39-7)26(30)35/h9-13,19-21,24-25,27,33,37H,8,14-16H2,1-7H3/t19-,20-,21+,24+,25-,27-,30+,31-,32?/m0/s1/i6D3,7D3

IUPAC

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

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat