Analyte Name

10-Deacetyl-7-methyl Baccatin III-D3

Molecular Formula

C30 D3 H35 O10

Molecular Weight

561.635

Accurate Mass

561.265

SMILES

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

InChI

InChI=1S/C30H38O10/c1-15-18(32)13-30(36)25(39-26(35)17-10-8-7-9-11-17)23-28(5,24(34)22(33)21(15)27(30,3)4)19(37-6)12-20-29(23,14-38-20)40-16(2)31/h7-11,18-20,22-23,25,32-33,36H,12-14H2,1-6H3/t18-,19-,20+,22+,23-,25-,28+,29-,30?/m0/s1/i6D3

IUPAC

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

Unlabelled CAS Number

1444818-14-7

SIL Type

Deuterium

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Stable Isotope Labelled

Product Format

Neat