Spektraris NMR
Triptogelin E-2
Common Name: Triptogelin E-2
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H34O7/c1-15-12-20(30-16(2)27)22(31-17(3)28)25(6)21(32-23(29)18-10-8-7-9-11-18)13-19-14-26(15,25)33-24(19,4)5/h7-11,15,19-22H,12-14H2,1-6H3/t15-,19-,20+,21-,22+,25-,26+/m1/s1
InChIKey: InChIKey=VQZQWQYCTJBSIN-AZTQYLDGSA-N
Formula: C26H34O7
Molecular Weight: 458.54396
Exact Mass: 458.230453
NMR Solvent: CDCl3
MHz: 400(1H); 100(13C)
Calibration: TMS
NMR references: Takaishi, Y., Tamai, S., Nakano, K., Murakami, K., Tomimatsu, T. (1991) Structures of sesquiterpene polyol esters from Tripterygium wilfordii var. regelii. Phytochemistry 30, 3027-3031.
Species: Tripterygium wilfordii var. regelii - Takaishi, Y., Tamai, S., Nakano, K., Murakami, K., Tomimatsu, T. (1991) Structures of sesquiterpene polyol esters from Tripterygium wilfordii var. regelii. Phytochemistry 30, 3027-3031.
Notes:
Proton NMR Peaks
| Position | PPM | Peak Type | J (Hz) |
|---|---|---|---|
| 1 | 5.56 | s | |
| 2 | 5.56 | s | |
| 9 | 4.96 | d | 6.6 |
| 12 | 1.39 | s | |
| 13 | 1.36 | s | |
| 14 | 1.27 | d | 7.8 |
| 15 | 1.21 | s | |
| OAcetyl (CH3) | 1.63 | s | |
| OAcetyl (CH3) | 2.01 | s | |
| OBenzoyl (position unknown) | 128.2 | ||
| OBenzoyl (position unknown) | 130.1 | ||
| OBenzoyl (position unknown) | 130.1 | ||
| OBenzoyl (position unknown) | 132.9 | ||
| OBenzoyl (position unknown) | 165.6 |
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 | 71.4 |
| 2 | 70.7 |
| 3 | 31.2 |
| 4 | 39.7 |
| 5 | 87.6 |
| 6 | 36.1 |
| 7 | 44 |
| 8 | 31.2 |
| 9 | 75.7 |
| 10 | 47.4 |
| 11 | 82.3 |
| 12 | 24.4 |
| 13 | 30.3 |
| 14 | 19.2 |
| 15 | 20 |
| OAcetyl (CH3) | 20.3 |
| OAcetyl (CH3) | 21.1 |
| OBenzoyl (position unknown) | 128.2 |
| OBenzoyl (position unknown) | 130.1 |
| OBenzoyl (position unknown) | 130.1 |
| OBenzoyl (position unknown) | 132.9 |
| OBenzoyl (carbonyl) | 165.6 |
