Taxuyunnanine V

Taxuyunnanine V

Common Name: Taxuyunnanine V

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C28H42O12/c1-12-19(38-14(3)31)10-28(26(6,7)36)21(12)23(34)25(40-16(5)33)27(8)20(39-15(4)32)9-18(37-13(2)30)17(11-29)22(27)24(28)35/h17-20,22-25,29,34-36H,9-11H2,1-8H3/t17-,18?,19?,20?,22+,23-,24+,25?,27-,28+/m1/s1

InChIKey: HXVDKVKYTZWUDR-UGUGVNCNSA-N

Formula: C28H42O12

Molecular Weight: 570.632

Exact Mass: 570.2676

NMR Solvent: pyridine-d5

MHz: 500MHz (H), 400MHz (C)

Calibration:

NMR references: Li, Sheng-Hong, Hong-Jie Zhang, Xue-Mei Niu, Ping Yao, Han-Dong Sun, and Harry HS Fong. "Taxuyunnanines SV, 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 5.18 d 9
3 2.99 d 4.3, 7.9
4 2.92 m
5 5.43 br.d 1.5
6a 2.16 m
6b 2.07 dt 3.8, 14.2
7 5.79 dd 5.1, 14.2
9 6.34 d 10.5
10 5.14 d 10.3
13 5.91 t 7.5
14a 2.6 dd 7.1, 14.6
14b 2.21 dd 7.4, 14.3
16 1.8 s
17 1.37 s
18 2.03 s
19 1.43 s
20a 4.3 dd 7.4, 10.3
20b 3.48 dd 8.2, 10.3
OAc 2.15 s
OAc 2.04 s
OAc 2.14 s
OAc 2.03 s

Carbon NMR Peaks

Position PPM
1 69.8
2 65.8
3 42.4
4 44.1
5 71.2
6 30.6
7 70.5
8 44.3
9 80.7
10 67.1
11 139.7
12 143.3
13 80.6
14 37.8
15 76
16 27.6
17 28.2
18 11.2
19 11.4
20 62