Spektraris NMR
Trijugin E
Common Name: Trijugin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H32O12/c1-13(29)39-26-9-8-24(4)18(14-7-10-36-12-14)37-15(30)11-27(24,26)40-21-25(5)17(16(19(31)35-6)38-22(25)33)23(2,3)20(32)28(21,26)34/h7,10,12,16-18,21,34H,8-9,11H2,1-6H3/t16-,17+,18+,21-,24+,25-,26-,27-,28-/m1/s1
InChIKey: InChIKey=GYWYYXYBSQIUSU-HYCRDVMYSA-N
Formula: C28H32O12
Molecular Weight: 560.547568
Exact Mass: 560.189376
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, X.N., Fan, C.Q., Yin, S., Gan, L.S., Yue, J.M. Phytochemistry (2008) 69, 1319-27
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Limonoids; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH) | 82.3 |
| 2 (C) | 78.8 |
| 3 (C) | 210 |
| 4 (C) | 47.6 |
| 5 (CH) | 45.5 |
| 6 (CH) | 74.3 |
| 7 (C) | 169.9 |
| 8 (C) | 95.2 |
| 9 (C) | 175.4 |
| 10 (C) | 43.2 |
| 11 (CH2) | 34.4 |
| 12 (CH2) | 33.2 |
| 13 (C) | 48.7 |
| 14 (C) | 91.5 |
| 15 (CH2) | 37 |
| 16 (C) | 167.9 |
| 17 (CH) | 79.8 |
| 18 (CH3) | 15.9 |
| 19 (CH3) | 16.4 |
| 20 (C) | 121.2 |
| 21 (CH) | 140 |
| 22 (CH) | 108.4 |
| 23 (CH) | 143.4 |
| 28 (CH3) | 25.8 |
| 29 (CH3) | 23 |
| 7a (CH3) | 52.7 |
| 8a (C) | 173.6 |
| 8b (CH3) | 21.4 |
