Triptogelin C-1

Triptogelin C-1

Common Name: Triptogelin C-1

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C28H36O9/c1-15-13-21(33-16(2)29)24(35-18(4)31)27(7)22(36-25(32)19-11-9-8-10-12-19)14-20-23(34-17(3)30)28(15,27)37-26(20,5)6/h8-12,15,20-24H,13-14H2,1-7H3/t15-,20-,21+,22-,23-,24+,27-,28-/m1/s1

InChIKey: InChIKey=BGJHHQRHKDDKIR-LHCCITPPSA-N

Formula: C28H36O9

Molecular Weight: 516.58004

Exact Mass: 516.235933

NMR Solvent: CDCl3

MHz: 400 (1H); 100 (13C)

Calibration: TMS

NMR references: Takaishi, Y., Tokura, K., Tamai, S., Ujita, K., Nakano, K., Tomimatsu, T. (1991) Sesquiterpene polyol esters from Tripterygium wilfordii var. regelii. Phytochemistry 30, 1567-1572

Species: Tripterygium wilfordii Hook fil var. regelii Makino; organ/tissue: achenes (Takaishi, Y., Tokura, K., Tamai, S., Ujita, K., Nakano, K., Tomimatsu, T. (1991) Sesquiterpene polyol esters from Tripterygium wilfordii var. regelii. Phytochemistry 30, 1567-1572)

Notes: poorly annotated spectral peaks; 1-OAc, 2-OAc and 3-OAc protons and methyl carbons not listed

Proton NMR Peaks

Position PPM Peak Type J (Hz)
1-alpha-ax 5.58 s
2-alpha-eq 5.58 s
3a 1.81 dd 13.6, 3
3b 2.42 ddd 13.6, 7.8, 3.4
4 2.38 m
6 5.42 s
7 2.48 m
8-eq 2.22 dd 11.5, 3.1
8-ax 2.47 ddd 11.5, 6.6, 3
9 (beta-eq) 5.34 d 6.7
12 1.55 s
13 1.55 s
14 1.3 d 7.6
15 1.62 s

Carbon NMR Peaks

Position PPM
1 71.2
2 70
3 31
4 33.8
5 89.6
6 79.2
7 48.9
8 31.6
9 73.1
10 50
11 82.9
12 26.9
13 30.7
14 18.6
15 20.4
Carbonyl (position unknown) 165.5
Carbonyl (position unknown) 169.5
Carbonyl (position unknown) 169.9
Carbonyl (position unknown) 170