Spektraris NMR

Common Name: 7-Xylosyltaxol

Synonyms: 7-(β-Xylosyl)taxol

CAS Registry Number: 90332-66-4

InChI: InChI=1S/C52H59NO18/c1-26-33(68-47(63)39(58)37(29-16-10-7-11-17-29)53-45(61)30-18-12-8-13-19-30)23-52(64)44(70-46(62)31-20-14-9-15-21-31)42-50(6,43(60)41(67-27(2)54)36(26)49(52,4)5)34(22-35-51(42,25-66-35)71-28(3)55)69-48-40(59)38(57)32(56)24-65-48/h7-21,32-35,37-42,44,48,56-59,64H,22-25H2,1-6H3,(H,53,61)/t32-,33+,34+,35-,37+,38+,39-,40-,41-,42+,44+,48+,50-,51+,52-/m1/s1

InChIKey: InChIKey=ZVEGOBHUZTXSFK-TZIKQHFSSA-N

Formula: C52H59N1O18

Molecular Weight: 986.02

Exact Mass: 985.3732

NMR Solvent: CDCl3: DMSO 4:1

MHz: 400.0

Calibration: TMS

NMR references: Sénilh, V., Blechert, S., Colin, M., Guénard, D., Picot, F., Potier, P., and Varenne, P. (1984). Mise en Évidence de Nouveaux Analogues du Taxol Extraits de Taxus baccata. J. Nat. Prod. 47, 131–137.

Species: Taxus

Notes: Reference article in French language, no 13C NMR found. Positions with '' refer to protons on xylosyl side chain. See literature for further details.