Triptohairic acid

Triptohairic acid

Common Name: Triptohairic acid

Synonyms: 12-Methoxy-19(4->3)-abeo-abieta,3,8,11,13-tetraen-19-oic acid

CAS Registry Number: 220209-71-2

InChI: InChI=1S/C21H28O3/c1-12(2)16-10-14-6-7-17-13(3)15(20(22)23)8-9-21(17,4)18(14)11-19(16)24-5/h10-12,17H,6-9H2,1-5H3,(H,22,23)/t17-,21-/m0/s1

InChIKey: InChIKey=DJRFNRVSOMFEMZ-UWJYYQICSA-N

Formula: C21H28O3

Molecular Weight: 328.44522

Exact Mass: 328.203845

NMR Solvent: CDCl3

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

Calibration: TMS

NMR references: 1H, 13C - Nakano, K., Oose, Y., Masuda, Y., Kamada, H., Takaishi, Y. (1998) Terpenoids in transformed root culture of Tripterygium wilfordii. Phytochemsitry 49, 1821-1824

Species: Tripterygium wilfordii - Nakano, K., Oose, Y., Masuda, Y., Kamada, H., Takaishi, Y. (1998) Terpenoids in transformed root culture of Tripterygium wilfordii. Phytochemsitry 49, 1821-1824

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
1b 1.66 m
6b 1.62 m
11 7.09 s
14 7.09 s
15 3.03 m 6.8
16-CH3 1.22 d 6.8
17-CH3 1.22 d 6.8
18-CH3 2.12 s
20-CH3 1.05 s

Carbon NMR Peaks

Position PPM
1 33.3
2 23.9
3 123.8
4 149.4
5 46.6
6 20
7 24.5
8 128.4
9 145.7
10 35.8
11 120.2
12 155.1
13 138.6
14 123.8
15 26.2
16 23.9
17 24
18 18.7
19 174.2
20 22.6
OMe 60.5