Spektraris NMR

Common Name: 10-Deacetoxy-2,9-diacetoxytaxine B

Synonyms:

CAS Registry Number: 172303-99-0

InChI: InChI=1S/C35H47NO9/c1-19-25(39)18-35(42)31(43-21(3)37)29-20(2)26(45-27(40)17-24(36(8)9)23-13-11-10-12-14-23)15-16-34(29,7)32(44-22(4)38)30(41)28(19)33(35,5)6/h10-14,24,26,29-32,41-42H,2,15-18H2,1,3-9H3/t24-,26+,29+,30-,31+,32+,34-,35-/m1/s1

InChIKey: InChIKey=JIPHPKFIXJPMPB-URDTZDDZSA-N

Formula: C35H47N1O9

Molecular Weight: 625.75

Exact Mass: 625.3251

NMR Solvent: CDCl3

MHz: 200.0

Calibration:

NMR references: Jenniskens, L.H.D., van Rozendaal, E.L.M., van Beek, T.A., Wiegerinck, P.H.G., and Scheeren, H.W. (1996). Identification of Six Taxine Alkaloids from Taxus baccata Needles. J. Nat. Prod. 59, 117–123.

Species: Taxus

Notes: This compound was not given a common name in reference and authors claim identification is tentative. See paper for details. No carbon nmr data. Protons at positions 6 and 7 were reported as not observed.