Triptogelin G-1

Triptogelin G-1

Common Name: Triptogelin G-1

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C26H34O5/c1-17-11-13-21(29-18(2)27)25(5)22(15-20-16-26(17,25)31-24(20,3)4)30-23(28)14-12-19-9-7-6-8-10-19/h6-10,12,14,17,20-22H,11,13,15-16H2,1-5H3/b14-12+/t17-,20-,21+,22-,25+,26+/m1/s1

InChIKey: InChIKey=DQWLBHRONRCNFM-RBWOARGSSA-N

Formula: C26H34O5

Molecular Weight: 426.54516

Exact Mass: 426.240624

NMR Solvent: CDCl3

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

Calibration: TMS

NMR references: Takaishi, Y., Tamai, S., Nakano, K., Murakami, K., Tomimatsu, T. (1991) Structures of sesquiterpene polyol esters from Tripterygium wilfordii var. regelii. Phytochemistry 30, 3027-3031.

Species: Tripterygium wilfordii var. regelii - Takaishi, Y., Tamai, S., Nakano, K., Murakami, K., Tomimatsu, T. (1991) Structures of sesquiterpene polyol esters from Tripterygium wilfordii var. regelii. Phytochemistry 30, 3027-3031.

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
1 5.43 dd 11.7, 3.9
2 (stereochemistry unknown) 1.6 m
2 (stereochemistry unknown) 1.8 m
3 (stereochemistry unknown) 1.42 d 14.2
3 (stereochemistry unknown) 2.2 ddd 14.2, 2.2, 3.9
4 2.43 m
6 (stereochemistry unknown) 1.92 m
6 (stereochemistry unknown) 2.05 m
7 1.98 m
8 (stereochemistry unknown) 2.02 m
8 (stereochemistry unknown) 2.13 ddd 15.2, 6.4, 2.9
9 4.81 d 6.4
12 1.38 s
13 1.2 s
14 1.06 d 7.8
15 1.2 s
OAcetyl (CH3) 1.84 s
OCinnamoyl (position unknown) 6.4 d 16.1
OCinnamoyl (position unknown) 7.68 d 16.1
OCinnamoyl (position unknown) 7.31 t 7.8
OCinnamoyl (position unknown) 7.38 t 7.8
OCinnamoyl (position unknown) 7.55 d 7.8

Carbon NMR Peaks

Position PPM
1 73.6
2 22
3 26.9
4 40
5 87.8
6 36.5
7 43.8
8 31.6
9 73.9
10 47.8
11 82
12 24.2
13 30.3
14 17.8
15 18.2
OAcetyl (CH3) 21.1
OAcetyl (CH3) 170.4
OCinnamoyl (position unknown) 118.5
OCinnamoyl (position unknown) 128.2
OCinnamoyl (position unknown) 128.8
OCinnamoyl (position unknown) 130.2
OCinnamoyl (position unknown) 134.6
OCinnamoyl (position unknown) 144.9
OCinnamoyl (carbonyl) 166.4