Spektraris NMR

Common Name: Tasumatrol Q

Synonyms: (3aS,5S,5aS,6S,8S,9aS,10S,10aR,10bS)-10b-[(Acetyloxy)methyl]-10-(benzoyloxy)-3a,4,5,5a,6,8,9,10,10a,10b-decahydro-5,6,8-trihydroxy-2,2,5a,7,11,11-hexamethyl-6,9a-(methanoxymethano)-9aH-cyclopenta[6,7]naphtho[1,2-d]-1,3-dioxol-13-one

CAS Registry Number:

InChI: InChI=1S/C32H40O11/c1-16-19(34)14-30-22(16)32(38,26(37)42-27(30,3)4)29(7)20(35)13-21-31(15-39-17(2)33,43-28(5,6)41-21)23(29)24(30)40-25(36)18-11-9-8-10-12-18/h8-12,19-21,23-24,34-35,38H,13-15H2,1-7H3/t19-,20-,21-,23?,24?,29+,30-,31-,32+/m0/s1

InChIKey: NVQDAKYYFJQNGU-ZLZKDPCISA-N

Formula: C32H40O11

Molecular Weight: 600.2571

Exact Mass: 600.2568

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