2-Debenzoyl-2-tigloyl-7-trichloroethoxycarbonyl-baccatin III

Analyte Name

2-Debenzoyl-2-tigloyl-7-trichloroethoxycarbonyl-baccatin III

Molecular Formula

C32 H41 Cl3 O13

Molecular Weight

740.019

Accurate Mass

738.161

SMILES

C\C=C(/C)\C(=O)O[C@H]1[C@H]2[C@@](C)([C@H](CC3OC[C@@]23OC(=O)C)OC(=O)OCC(Cl)(Cl)Cl)C(=O)[C@H](OC(=O)C)C4=C(C)[C@@H](O)CC1(O)C4(C)C

InChI

InChI=1S/C32H41Cl3O13/c1-9-14(2)26(40)47-25-23-29(8,24(39)22(45-16(4)36)21-15(3)18(38)11-31(25,42)28(21,6)7)19(46-27(41)44-13-32(33,34)35)10-20-30(23,12-43-20)48-17(5)37/h9,18-20,22-23,25,38,42H,10-13H2,1-8H3/b14-9+/t18-,19-,20?,22+,23-,25-,29+,30-,31?/m0/s1

IUPAC

[(2S,3R,4S,9S,10S,12R,15S)-4,12-diacetyloxy-1,15-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9-(2,2,2-trichloroethoxycarbonyloxy)-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] (E)-2-methylbut-2-enoate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat