Spektraris NMR

Common Name: (-)-2α-acetoxy-2′,7-dideacetoxy-1-hydroxy11(15→1)abeoaustrospicatine

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C39H53NO11/c1-21-29(51-31(45)19-28(40(10)11)27-15-13-12-14-16-27)17-18-38(9)33(21)35(49-25(5)43)39(37(7,8)46)20-30(47-23(3)41)22(2)32(39)34(48-24(4)42)36(38)50-26(6)44/h12-16,28-30,33-36,46H,1,17-20H2,2-11H3/t28?,29-,30?,33-,34?,35?,36?,38+,39-/m0/s1

InChIKey: MBZYQIZHDWRHKZ-BGGORLJESA-N

Formula: C39H53N1O11

Molecular Weight: 712.3697

Exact Mass: 712.3694

NMR Solvent:

MHz: 500 (1H); 125 (13C)

Calibration: CHCl3 at 7.26 ppm and CDCl3 at 77 ppm

NMR references: Doss, R. P.

Carney, J. R.

Shanks, C. H. J.

Williamson, R. T.

Chamberlain, J. D. J. Nat. Prod. 1997, 60, 1130.

Species: Taxus baccata foilage from Oregon State University campus.

Notes: