Analyte Name

10-Deacetyl-7,10,13-trimethyl Baccatin III

CAS Number

1584118-06-8

Molecular Formula

C32 H42 O10

Molecular Weight

586.67

Accurate Mass

586.278

SMILES

CO[C@H]1C[C@@]2(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](OC)C(=C1C)C2(C)C)OC(=O)C

InChI

InChI=1S/C32H42O10/c1-17-20(37-6)15-32(36)27(41-28(35)19-12-10-9-11-13-19)25-30(5,26(34)24(39-8)23(17)29(32,3)4)21(38-7)14-22-31(25,16-40-22)42-18(2)33/h9-13,20-22,24-25,27,36H,14-16H2,1-8H3/t20-,21-,22+,24+,25-,27-,30+,31-,32+/m0/s1

IUPAC

[(2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1-hydroxy-9,12,15-trimethoxy-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 Type

API

Product Format

Neat