taxuyunnanine S

taxuyunnanine S

Common Name: taxuyunnanine S

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H34O9/c1-8-9(22)6-19(17(2,3)28)12(8)13(25)15(26)18(4)10(23)5-11(24)20(29,7-21)14(18)16(19)27/h9-11,13-16,21-29H,5-7H2,1-4H3/t9-,10-,11-,13+,14-,15-,16-,18+,19-,20-/m0/s1

InChIKey: WRININRVLQXOBB-JYOFNKSHSA-N

Formula: C20H34O9

Molecular Weight: 418.483

Exact Mass: 418.2203

NMR Solvent: pyridine-d5

MHz: 500MHz

Calibration:

NMR references: Li, Sheng-Hong, Hong-Jie Zhang, Xue-Mei Niu, Ping Yao, Han-Dong Sun, and Harry HS Fong. "Taxuyunnanines S-V, new taxoids from Taxus yunnanensis." Planta medica 68, no. 03 (2002): 253-257.

Species: bark of Taxus yunnanensis

Notes: calibration unknown

Proton NMR Peaks

Position PPM Peak Type J (Hz)
2 4.42 d 7.4
3 2.53 d 7.6
5 3.74 br. t 3
6a 1.86 m
6b 1.74 m
7 4.1 dd 4.8, 11.4
9 3.96 d 9.6
10 4.43 d 9.8
13 4.47 t 7
14a 2.02 dd 7.1, 14
14b 1.78 dd 7.7, 14.1
16 1.33 s
17 1.06 s
18 1.85 br. d 0.9
19 1.22 s
20a 4 ABd 11.5
20b 3.65 ABd 11.5

Carbon NMR Peaks

Position PPM
1 69.2
2 70.1
3 44
4 78.6
5 70.1
6 35
7 70.8
8 44.1
9 81.8
10 69.8
11 139.9
12 145.8
13 78.6
14 39.7
15 77.6
16 26.7
17 28.1
18 11.3
19 14.5
20 66