Spektraris NMR

Common Name: (3E,8E)-2a,5a,7b,9,10b,13a-Hexaacetoxy-20-hydroxy-3,8-secotaxa-3,8,11-triene

Synonyms: (3E,8E)-2a,5a,7b,9,10b,13a-Hexaacetoxy-20-hydroxy-3,8-secotaxa-3,8,11-triene (¼(2R,5R,7S,8E,10S,11R,13S)-8-(Hydroxymethyl)-4,14,15,15-tetramethylbicyclo[9.3.1]pentadeca-1(14),3,8-triene-2,3,5,7,10,13-hexayl Hexaacetate

CAS Registry Number:

InChI: InChI=1S/C32H44O13/c1-15-25(40-17(3)34)12-24-28(43-20(6)37)11-23(14-33)27(42-19(5)36)13-26(41-18(4)35)16(2)30(44-21(7)38)31(45-22(8)39)29(15)32(24,9)10/h11,24-28,31,33H,12-14H2,1-10H3/b23-11+,30-16-/t24-,25?,26?,27?,28?,31?/m0/s1

InChIKey: WSNAVAQCPMPRBC-PAENNERUSA-N

Formula: C32H44O13

Molecular Weight: 636.2782

Exact Mass: 636.2783

NMR Solvent: (D6)acetone, CDCl3

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

Calibration: TMS

NMR references: Luh, L. J.

Abd El-Razek, M. H.

Liaw, C. C.

Arthur Chen, C. T.

Lin, Y. S.

Kuo, Y. H.

Chien, C. T.

Shen, Y. C. Helv. Chim. Acta 2009, 92, 1349.

Species: needles and stems of T. sumatrana

Notes: missing proton NMR data