Spektraris NMR
Trijugin D
Common Name: Trijugin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H32O11/c1-13(29)38-27-9-8-25(4)20(14-7-10-35-12-14)36-15(30)11-28(25,27)39-21-16(27)19(31)24(2,3)18-17(22(32)34-6)37-23(33)26(18,21)5/h7,10,12,16-18,20-21H,8-9,11H2,1-6H3/t16-,17+,18-,20-,21-,25-,26+,27-,28+/m0/s1
InChIKey: InChIKey=KCUDJAHQSKFKLX-WACAFCOXSA-N
Formula: C28H32O11
Molecular Weight: 544.548163
Exact Mass: 544.194462
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) | 80 |
| 2 (CH) | 51.6 |
| 3 (C) | 208 |
| 4 (C) | 47.7 |
| 5 (CH) | 45.2 |
| 6 (CH) | 74.4 |
| 7 (C) | 170 |
| 8 (C) | 89.6 |
| 9 (C) | 175.4 |
| 10 (C) | 43 |
| 11 (CH2) | 41.7 |
| 12 (CH2) | 33.4 |
| 13 (C) | 47.9 |
| 14 (C) | 92.9 |
| 15 (CH2) | 36.8 |
| 16 (C) | 168.3 |
| 17 (CH) | 80.7 |
| 18 (CH3) | 15.8 |
| 19 (CH3) | 18.7 |
| 20 (C) | 121.3 |
| 21 (CH) | 139.9 |
| 22 (CH) | 108.4 |
| 23 (CH) | 143.3 |
| 28 (CH3) | 26.2 |
| 29 (CH3) | 21.9 |
| 7a (CH3) | 52.8 |
| 8a (C) | 170.4 |
| 8b (CH3) | 21.6 |
