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:
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 |
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 |