Wilforic acid B

Wilforic acid B

Common Name: Wilforic acid B

Synonyms: 2beta-Hydroxy-3-oxo-24-nor-D:A-friedoolean-4-ene-29-oic acid

CAS Registry Number:

InChI: InChI=1S/C29H44O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h19-22,30H,7-16H2,1-6H3,(H,32,33)/t19?,20-,21?,22?,25+,26+,27-,28+,29-/m0/s1

InChIKey: InChIKey=IBFPFYPZOPHYKC-JOMCMENUSA-N

Formula: C29H44O4

Molecular Weight: 456.65726

Exact Mass: 456.32396

NMR Solvent: CDCl3

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

Calibration: TMS

NMR references: Li, K., Duan, H., Kawazoe, K., Takaishi, Y. (1997) Terpenoids from Tripterygium wilfordii. Phytochemistry 45, 791-796.

Species: Tripterygium wilfordii - Li, K., Duan, H., Kawazoe, K., Takaishi, Y. (1997) Terpenoids from Tripterygium wilfordii. Phytochemistry 45, 791-796.

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
1 1.52 m
2 3.96 dd 14.2, 6.4
6 2.9 dd 16.6, 3.9
6 1.98 m
7 1.5 m
7 1.78 m
8 1.63 m
10 2.3 m
16 2.05 m
23-CH3 1.82 s
25-CH3 0.76 s
26-CH3 0.91 s
27-CH3 1.01 s
28-CH3 1.09 s
30-CH3 1.26 s

Carbon NMR Peaks

Position PPM
1 28.6
2 71.6
3 200.1
4 127.6
5 159.6
6 31
7 21
8 48.6
9 37.6
10 52.5
11 33.1
12 29.1
13 38.8
14 39.5
15 29.3
16 36.4
17 30.1
18 44.3
19 29.5
20 40.4
21 30
22 36.1
23 11.2
25 16.7
26 16.2
27 17.7
28 30.2
29 184.7
30 31.7