Spektraris NMR

Common Name: Brevifoliol

Synonyms: 2-Deacetoxytaxchinin A

CAS Registry Number:

InChI: InChI=1S/C31H40O9/c1-16-21-14-31(37)15-23(35)17(2)25(29(31,5)6)26(40-28(36)20-11-9-8-10-12-20)27(39-19(4)33)30(21,7)24(13-22(16)34)38-18(3)32/h8-12,21-24,26-27,34-35,37H,1,13-15H2,2-7H3/t21-,22+,23+,24?,26?,27?,30+,31+/m1/s1

InChIKey: AOJBNSAHORSCPT-YKIVEKCZSA-N

Formula: C31H40O9

Molecular Weight: 556.6

Exact Mass: 557

NMR Solvent: CDCl3

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

Calibration: TMS

NMR references: Balza, F.

Tachibana, S.

Barrios, H.

Towers, G. H. N. Phytochemistry 1991, 30, 1613. Appendino, G.

Barboni, L.

Gariboldi, P.

Bombardelli, E.

Gabetta, B.

Viterbo, D. J. Chem. Soc., Chem. Commun. 1993, 20, 1587.

Species: Taxus brevifolia needles

Notes: First reference discovered Brevifoliol, and the second reference is for structure revision.