Wilforic acid F

Wilforic acid F

Common Name: Wilforic acid F

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C30H48O4/c1-18-23(32)19(31)16-21-27(18,4)9-8-20-28(21,5)13-15-30(7)22-17-26(3,24(33)34)11-10-25(22,2)12-14-29(20,30)6/h18-22,31H,8-17H2,1-7H3,(H,33,34)/t18-,19-,20?,21?,22?,25+,26+,27+,28+,29+,30-/m0/s1

InChIKey: InChIKey=KVLFXTHBJNNYDP-KYCAODMCSA-N

Formula: C30H48O4

Molecular Weight: 472.69972

Exact Mass: 472.35526

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)
1 2.44 dd 10.6, 7
2 4.08 br d 10.5
4 2.25 q 6.7
19 2.34 br d 13.4
21 2.16 br d 14.4
22 1.99 dt 14.1, 4
23 0.95 d 6.7
24 0.7 s
25 0.88 s
26 0.88 s
27 1 s
28 1.1 s
30 1.27 s

Carbon NMR Peaks

Position PPM
1 32.5
2 75
3 212.2
4 55.6
5 43
6 41.2
7 18.2
8 50.8
9 37.4
10 56.8
11 35.3
12 29.5
13 39.3
14 39.3
15 29.4
16 36.1
17 30.1
18 44.2
19 30.3
20 40.4
21 29.7
22 36.7
23 6.6
24 14.7
25 18.5
26 16.4
27 18.1
28 31.9
29 184.4
30 31.4