Tingenin B

Tingenin B

Common Name: Tingenin B

Synonyms: 22β-hydroxytingenone; 22-hydroxytingenone

CAS Registry Number: 1258-84-0

InChI: InChI=1S/C28H38O4/c1-15-13-21-26(4,24(32)22(15)30)10-12-27(5)20-8-7-17-16(2)23(31)19(29)14-18(17)25(20,3)9-11-28(21,27)6/h7-8,15,18,21,24,31-32H,9-14H2,1-6H3/t15-,18?,21-,24-,25+,26-,27-,28+/m1/s1

InChIKey: InChIKey=FEZVSTQMCAWYPS-PDBXQOJUSA-N

Formula: C28H36O4

Molecular Weight: 436.58304

Exact Mass: 436.26136

NMR Solvent: CDCl3

MHz: 500 (1H), 125 (13C)

Calibration:

NMR references: Lee B.W., Seo W.D., Gal S.W., Yang M.S., and Park K.H. (2004) Quinone methide triterpenes from Tripterygium regelii. Agric. Chem. Biotechnol. 47, 77-80.

Species: Tripterygium regelii (stem bark) - Lee B.W., Seo W.D., Gal S.W., Yang M.S., and Park K.H. (2004) Quinone methide triterpenes from Tripterygium regelii. Agric. Chem. Biotechnol. 47, 77-80;

Notes: 1H-NMR signal assignments based on various 2D-NMR experiments

Proton NMR Peaks

Position PPM Peak Type J (Hz)
28 0.87 s
27 0.99 s
22a 0.97 m
29 1.07 d 6.3
16a 1.27 m
26 1.37 s
25 1.51 s
16b 1.6 m
15a 1.66 m
19a 1.77 m
18 1.79 m
15b 1.85 m
12 1.88 m
11a 2.01 m
19b 2.21 m
23 2.23 s
11b 2.26 m
20 2.67 m
22 4.54 s
7 6.37 d 7.1
1 6.53 s
6 7.04 d 7

Carbon NMR Peaks

Position PPM
1 120
2 178
3 146
4 118
5 128
6 134
7 117
8 168
9 43
10 165
11 34
12 30
13 41
14 44
15 28
16 30
17 45.1
18 45
19 32
20 40.9
21 214
22 77
23 10
25 39
26 22
27 21
28 25
29 15