Triptocallol

Triptocallol

Common Name: Triptocallol

Synonyms: 14-Methoxyabieta-8, 11, 13-trien-3β,19-diol

CAS Registry Number:

InChI: InChI=1S/C21H32O3/c1-13(2)14-6-8-16-15(19(14)24-5)7-9-17-20(16,3)11-10-18(23)21(17,4)12-22/h6,8,13,17-18,22-23H,7,9-12H2,1-5H3/t17-,18+,20-,21-/m1/s1

InChIKey: InChIKey=WWWGODYSDJATPL-KOUHRCEDSA-N

Formula: C21H32O3

Molecular Weight: 332.47698

Exact Mass: 332.235145

NMR Solvent: CDCl3

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

Calibration: TMS

NMR references: 1H, 13C - Nakano K., Oose Y., Masuda Y., Kamada H., Takaishi Y. (1997) A diterpenoid and triterpenes from tissue cultures of Tripterygium wilfordii. Phytochemistry 45, 293-296.

Species: Tripterygium wilfordii - Nakano K., Oose Y., Masuda Y., Kamada H., Takaishi Y. (1997) A diterpenoid and triterpenes from tissue cultures of Tripterygium wilfordii. Phytochemistry 45, 293-296

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
3 3.52 dd 4.39, 11.72
11 6.99 d 8.79
12 7.05 d 8.79
15 3.27 sep 6.84
19a 3.43 d 11.2
19b 4.31 d 11.2
16-CH3 1.19 d 6.84
17-CH3 1.2 d 6.84
18-CH3 1.32 s
20-CH3 1.15 s
14-OCH3 3.78 s

Carbon NMR Peaks

Position PPM
1 36.9
2 28.5
3 80.6
4 42.9
5 50.4
6 18.5
7 25.6
8 128.3
9 147.9
10 37.3
11 120.6
12 123.9
13 138.3
14 154.8
15 25.9
16 23.9
17 24
18 22.5
19 64.2
20 26.1
14-OCH3 60.5