13-{[(3-t-Boc)-2,2-dimethyl-4S-phenyl-1,3-oxazolidin-5R-yl]formyl}-6Alpha,7Beta-dihydroxy Baccatin III

Analyte Name

13-([(3-t-Boc)-2,2-dimethyl-4S-phenyl-1,3-oxazolidin-5R-yl]formyl)-6alpha,7beta-dihydroxy Baccatin III

Molecular Formula

C48H59NO16

Molecular Weight

905.98

Accurate Mass

905.38

SMILES

O=C(C)O[C@H](C1=C(C)[C@@H](OC([C@H]2[C@H](C3=CC=CC=C3)N(C(OC(C)(C)C)=O)C(C)(C)O2)=O)C[C@]([C@@H](OC(C4=CC=CC=C4)=O)C5[C@@]6(C)[C@@H](O)[C@H](O)[C@@H]7[C@@]5(OC(C)=O)CO7)(O)C1(C)C)C6=O

InChI

InChI=1S/C48H59NO16/c1-24-29(61-41(56)34-31(27-18-14-12-15-19-27)49(45(9,10)64-34)42(57)65-43(4,5)6)22-48(58)39(62-40(55)28-20-16-13-17-21-28)35-46(11,37(54)33(60-25(2)50)30(24)44(48,7)8)36(53)32(52)38-47(35,23-59-38)63-26(3)51/h12-21,29,31-36,38-39,52-53,58H,22-23H2,1-11H3/t29-,31-,32-,33+,34+,35?,36-,38+,39-,46?,47+,48+/m0/s1

IUPAC

3-(tert-butyl) 5-((2aR,3S,4R,4aS,6R,9S,11S,12S,12bS)-6,12b-diacetoxy-12-(benzoyloxy)-3,4,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-9-yl) (4S,5R)-2,2-dimethyl-4-phenyloxazolidine-3,5-dicarboxylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat