Wilforol B

Wilforol B

Common Name: Wilforol B

Synonyms: 25(9 -> 8)-abeo-D:A-Friedo-1, 2-dihydroxy-24-nor-l,3,5 (10), 6,8-oleanapetaen-29-oic acid

CAS Registry Number:

InChI: InChI=1S/C29H38O4/c1-17-18-7-9-27(4)20(19(18)15-21(30)23(17)31)8-10-28(5)22-16-26(3,24(32)33)12-11-25(22,2)13-14-29(27,28)6/h7-9,15,22,30-31H,10-14,16H2,1-6H3,(H,32,33)/t22?,25-,26-,27-,28+,29-/m1/s1

InChIKey: InChIKey=CBCMYJMFDLVEHM-KNBNFKIJSA-N

Formula: C29H38O4

Molecular Weight: 450.60962

Exact Mass: 450.27701

NMR Solvent: DMSO

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

Calibration: TMS

NMR references: Morota, T., Yang, C., Ogino, T., Qin, W., Katsuhara, T., Xu, L., Komatsu, Y., Miao, K., Maruno, M., Yang, B. (1995) D: A-Friedo-24-noroleanane triterpenoids from Triptergigium wilfordii. Phytochemistry 39, 1159-1163.

Species: Tripterygium wilfordii - Morota, T., Yang, C., Ogino, T., Qin, W., Katsuhara, T., Xu, L., Komatsu, Y., Miao, K., Maruno, M., Yang, B. (1995) D: A-Friedo-24-noroleanane triterpenoids from Triptergigium wilfordii. Phytochemistry 39, 1159-1163.

Notes:

Proton NMR Peaks

Position PPM Peak Type J (Hz)
23 2.06 s
25 0.95 s
26 0.9 s
27 0.94 s
28 1.13 s
30 1.03 s
Position unknown (1H) 5.41 d 5.2
Position unknown (1H) 6.22 d 10
Position unknown (1H) 6.32 d 10
Position unknown (1H) 6.59 s

Carbon NMR Peaks

Position PPM
1 108.5
2 142.9
3 141.9
4 119.6
5 122.8
6 120.9
7 137.3
8 43.3
9 144.1
10 128.5
11 119.4
12 32.6
13 39.4
14 40.1
15 23.3
16 36.7
17 31.1
18 46.3
19 30.7
20 38.3
21 29.2
22 37.2
23 11.1
25 22.4
26 19.1
27 18.7
28 32.7
29 179.7
30 30.4