Spektraris NMR

Common Name: Tasumatrol T

Synonyms: 3R,3aR,4aS,5S,6S,8S,8aS,9S)-5-[(Benzoyloxy)methyl]-2,3,4,4a,5,6,7,8,8a,9-decahydro-3,5,6,8,9-pentahydroxy-1,8a,12,12-tetramethyl-3a,9-(methanoxymethano)-3aH-benz[f]inden-10-one

CAS Registry Number:

InChI: InChI=1S/C27H34O9/c1-14-10-18(29)25-12-16-24(4,27(34,20(14)25)22(32)36-23(25,2)3)17(28)11-19(30)26(16,33)13-35-21(31)15-8-6-5-7-9-15/h5-9,16-19,28-30,33-34H,10-13H2,1-4H3/t16?,17-,18+,19-,24-,25-,26+,27+/m0/s1

InChIKey: AWALKYYWUVHCHF-LWLCLTFZSA-N

Formula: C27H34O9

Molecular Weight: 502.2203

Exact Mass: 502.2204

NMR Solvent: CDCl3

MHz: 300 (1H); 75 (13C)

Calibration: TMS

NMR references: Shen, Y. C.

Lin, Y. S.

Hsu, S. M.

Khalil, A. T.

Wang, S. S.

Chien, C. T.

Kuo, Y. H.

Chou, C. H. Helv. Chim. Acta 2007, 90, 1319

Species: Taxus sumatrana (Miq) De Laub. leaves and twigs from Kaohsiung County, Taiwan at an altitude of 1000m in March 2002.

Notes: structure data identified in taxus