Triptogelin A-8

Triptogelin A-8

Common Name: Triptogelin A-8

Synonyms:

CAS Registry Number: 135118-44-4

InChI: InChI=1S/C24H32O8/c1-12-11-15(26)18(28)23(5)20(31-21(29)14-9-7-6-8-10-14)17(27)16-19(30-13(2)25)24(12,23)32-22(16,3)4/h6-10,12,15-20,26-28H,11H2,1-5H3/t12-,15+,16-,17-,18+,19-,20-,23+,24-/m1/s1

InChIKey: InChIKey=GXEBTQQOZPQEKD-UEWJCKJZSA-N

Formula: C24H32O8

Molecular Weight: 448.50608

Exact Mass: 448.209718

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:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
1 4 s
2 4 s
3 (stereochemistry unknown) 1.85 d 16.1
3 (stereochemistry unknown) 2.15 m
4 2.21 m
6 6.16 s
7 2.51 d 3.9
8 4.38 dd 4.9, 3.9
9 5.49 d 4.9
12 1.44 s
13 1.44 s
14 1.27 d 7.3
15 1.61 s
6-OAc 2.11 s
9-O-Benzoyl (position unknown) 7.45 t 7.3
9-O-Benzoyl (position unknown) 7.59 t 7.3
9-O-Benzoyl (position unknown) 8.06 d 7.3

Carbon NMR Peaks

Position PPM
1 76.4
2 71.4
3 32.5
4 33.5
5 91.6
6 74.9
7 54.3
8 70.5
9 78
10 49
11 81.1
12 24.1
13 30.8
14 18.7
15 13.4
Ac 21.4
Ac 170.1
9-O-Benzoyl (position unknown) 128.6
9-O-Benzoyl (position unknown) 129.7
9-O-Benzoyl (position unknown) 130.1
9-O-Benzoyl (position unknown) 133.4
9-O-Benzoyl (position unknown) 166.2