Wilforic acid D

Wilforic acid D

Common Name: Wilforic acid D

Synonyms: 3-Dehydroxy-24-ethoxy-ortho-sphenic acid

CAS Registry Number:

InChI: InChI=1S/C32H52O5/c1-8-36-26-32-10-9-21-29(5,22(32)17-20(33)24(37-26)19(32)2)14-16-31(7)23-18-28(4,25(34)35)12-11-27(23,3)13-15-30(21,31)6/h19-24,26,33H,8-18H2,1-7H3,(H,34,35)/t19-,20-,21?,22?,23?,24+,26+,27+,28+,29+,30+,31-,32-/m0/s1

InChIKey: InChIKey=MILUXBBEUPIOMH-XZNQNQMKSA-N

Formula: C32H52O5

Molecular Weight: 516.75228

Exact Mass: 516.381475

NMR Solvent: CDCl3

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

Calibration: TMS

NMR references: Duan, H., Takaishi, Y., Momota, H., Ohmoto, Y., Taki, T., Jia, Y., Li, D. (2000) Triterpenoids from Tripterygium wilfordii. Phytochemistry 53, 805-810.

Species: Tripterygium wilfordii - Duan, H., Takaishi, Y., Momota, H., Ohmoto, Y., Taki, T., Jia, Y., Li, D. (2000) Triterpenoids from Tripterygium wilfordii. Phytochemistry 53, 805-810.

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
1a 1.73 dt 4.1, 14.1
2 4.04 t 4.4
3 3.88 d 4.9
4 1.97 q 6.8
6 2.15 d 14.2
19 2.32 d 14.2
21 2.23 d 13.2
23 1.05 d 6.8
24 5.02 s
25 0.92 s
26 0.86 s
27 0.96 s
28 1.08 s
30 1.25 s
OEt 1.2 t 7.3
OEt 3.42 dt 16.6, 7.3
OEt 3.79 dt 16.6, 7.3

Carbon NMR Peaks

Position PPM
1 27
2 69.1
3 83.6
4 44.1
5 49.6
6 29.6
7 19.2
8 50.4
9 37.2
10 52.8
11 34.2
12 29.1
13 39.1
14 39
15 29.6
16 36.1
17 30.1
18 44.2
19 30.3
20 40.4
21 29.5
22 36.6
23 14.2
24 103.4
25 16.9
26 16.6
27 18.1
28 31.9
29 184.6
30 31.5
OEt 64.6