Analyte Name

13-O-(trans-3-Phenyl-glycidyl)-7,10-bis[O-(trichloroethoxycarbonyl)]-10-deacetyl Baccatin III

Molecular Formula

C42 H44 Cl6 O16

Molecular Weight

1017.507

Accurate Mass

1014.076

SMILES

CC(=O)O[C@@]12CO[C@@H]1C[C@H](OC(=O)OCCl(Cl)Cl)[C@]3(C)[C@@H]2[C@H](OC(=O)c4ccccc4)C5(O)C[C@H](OC(=O)C6OC6c7ccccc7)C(=C([C@@H](OC(=O)OCCl(Cl)Cl)C3=O)C5(C)C)C

InChI

InChI=1S/C42H44Cl6O16/c1-21-25(59-36(52)31-29(61-31)23-12-8-6-9-13-23)17-42(55)34(63-35(51)24-14-10-7-11-15-24)32-40(5,33(50)30(28(21)39(42,3)4)62-38(54)58-20-48(45)46)26(60-37(53)57-19-47(43)44)16-27-41(32,18-56-27)64-22(2)49/h6-15,25-27,29-32,34,55H,16-20H2,1-5H3/t25-,26-,27+,29?,30+,31?,32-,34-,40+,41-,42?/m0/s1

IUPAC

[(2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-2-benzoyloxy-9,12-bis[(dichloro-?3-chloranyl)methoxycarbonyloxy]-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-15-yl] 3-phenyloxirane-2-carboxylate

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat