Spektraris NMR
Triptotin F
Common Name: Triptotin F
Synonyms: 2,3-Dihydroxy-1,3,5(10),7-tetraene,6 beta(1'-hydroxyethyl)-24-nor-D:A-friedooleane-29-oic acid
CAS Registry Number: 359630-36-7
InChI: InChI=1S/C31H44O5/c1-17-24-19(18(2)32)14-22-29(5,20(24)15-21(33)25(17)34)11-13-31(7)23-16-28(4,26(35)36)9-8-27(23,3)10-12-30(22,31)6/h14-15,18-19,23,32-34H,8-13,16H2,1-7H3,(H,35,36)/t18?,19-,23?,27-,28-,29+,30-,31+/m1/s1
InChIKey: InChIKey=UZTWKCSXTUDYPH-SVDVXRORSA-N
Formula: C31H44O5
Molecular Weight: 496.67806
Exact Mass: 496.318875
NMR Solvent: CDCl3
MHz: 400(1H), 100(13C)
Calibration: TMS
NMR references: Duan, H., Takaishi, Y., Momota, H., Ohmoto, Y., Taki, T., Tori, M., Takaoka, S., Jia, Y., Li, D. (2001). Immunosuppressive terpenoids from extracts of Tripterygium wilfordii. Tetrahedron 57, 8413-8424.
Species: Tripterygium wilfordii - Duan, H., Takaishi, Y., Momota, H., Ohmoto, Y., Taki, T., Tori, M., Takaoka, S., Jia, Y., Li, D. (2001). Immunosuppressive terpenoids from extracts of Tripterygium wilfordii. Tetrahedron 57, 8413-8424.
Notes:
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 1 | 6.7 | s | |
| 6 | 3.47 | t | 6.8 |
| 7 | 5.72 | d | 6.3 |
| 19-alpha | 2.35 | d | 15.6 |
| 23 | 2.19 | s | |
| 25 | 1.46 | s | |
| 26 | 1.16 | s | |
| 27 | 0.62 | s | |
| 28 | 1.02 | s | |
| 29 | 1.13 | s | |
| 31 | 3.58 | q | 6.4 |
| 32 | 1.11 | d | 6.4 |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 | 109.7 |
| 2 | 142.7 |
| 3 | 140.5 |
| 4 | 121.6 |
| 5 | 125.3 |
| 6 | 44.7 |
| 7 | 119.8 |
| 8 | 150.3 |
| 9 | 37.8 |
| 10 | 142.2 |
| 11 | 36.8 |
| 12 | 30.5 |
| 13 | 38 |
| 14 | 44.1 |
| 15 | 29.1 |
| 16 | 36.8 |
| 17 | 30.5 |
| 18 | 44.4 |
| 19 | 30.5 |
| 20 | 40.1 |
| 21 | 29.8 |
| 22 | 34.8 |
| 23 | 12.7 |
| 25 | 35.5 |
| 26 | 22.1 |
| 27 | 18.3 |
| 28 | 31.5 |
| 29 | 181.6 |
| 30 | 32.8 |
