Taxuyunnanine G

Taxuyunnanine G

Common Name: Taxuyunnanine G

Synonyms: 10,​14-​Dideacetyltaxuyunnan​ine C

CAS Registry Number: 167355-42-2

InChI: InChI=1S/C24H36O6/c1-12-10-16(27)21-22(30-15(4)26)20-13(2)18(29-14(3)25)8-9-24(20,7)11-17(28)19(12)23(21,5)6/h16-18,20-22,27-28H,2,8-11H2,1,3-7H3/t16-,17-,18-,20-,21-,22-,24-/m0/s1

InChIKey: InChIKey=YVRSQDAUMAIYGJ-XHNBIOFNSA-N

Formula: C24H36O6

Molecular Weight: 420.54

Exact Mass: 420.2512

NMR Solvent: CDCl3

MHz: 400.0

Calibration: Residual solvent 7.24ppm and 77.0ppm for proton and carbon respectively.

NMR references: Zhang, H., Sun, H., and Takeda, Y. (1995). Four New Taxanes from the Roots of Taxus yunnanensis. J. Nat. Prod. 58, 1153–1159.

Species: Taxus

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
1 1.69 br d 1.9
2 5.36 dd 6.2, 2
3 2.82 d 6.1
5 5.19 t 2.7
6a 1.72 m
6b 1.72 m
7α 1.15 m
7β 1.86 m
9α 1.61 dd 14.9, 5.6
9β 2.29 dd 14.8, 11.8
10 5.05 dd 11.8, 5.6
13α 2.56 dd 18.5, 8.8
13β 2.46 dd 18.6, 5.3
14 4.04 dd 8.5, 5.5
16 1.18 s
17 1.66 s
18 1.94 s
19 0.78 s
20a 5.21 br s
20b 4.84 br s
2-OAc-CH3 2.03 s
5-OAc-CH3 2.09 s

Carbon NMR Peaks

Position PPM
1 63.7
2 71.4
3 41.9
4 142.9
5 78.8
6 28.9
7 33.8
8 39.7
9 47.2
10 67.3
11 138.8
12 132.9
13 42.3
14 67.8
15 37.9
16 31.8
17 25.7
18 21.1
19 22.4
20 116.7
2-OAc-CH3 21.5
2-OAc-C=O 169.6
5-OAc-CH3 21.9
5-OAc-C=O 169.6