Spektraris NMR
Trijugin F
Common Name: Trijugin F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H30O10/c1-22(2)16-15(20(30)32-5)34-21(31)24(16,4)19-14(18(22)29)25-8-7-23(3,17(28)12-6-9-33-11-12)26(25,36-19)10-13(27)35-25/h6,9,11,14-17,19,28H,7-8,10H2,1-5H3/t14-,15+,16-,17+,19-,23-,24+,25-,26+/m0/s1
InChIKey: InChIKey=AFVCVMTZGVHNFF-QXRDIAJXSA-N
Formula: C26H30O10
Molecular Weight: 502.511405
Exact Mass: 502.183897
NMR Solvent: C5D5N
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) | 84.9 |
| 2 (CH) | 62 |
| 3 (C) | 209.4 |
| 4 (C) | 47.4 |
| 5 (CH) | 46.7 |
| 6 (CH) | 75.2 |
| 7 (C) | 171.3 |
| 8 (C) | 102 |
| 9 (C) | 176.8 |
| 10 (C) | 44.9 |
| 11 (CH2) | 38.3 |
| 12 (CH2) | 36.6 |
| 13 (C) | 51.9 |
| 14 (C) | 100.2 |
| 15 (CH2) | 41 |
| 16 (C) | 175.6 |
| 17 (CH) | 69.7 |
| 18 (CH3) | 18.8 |
| 19 (CH3) | 19.4 |
| 20 (C) | 128.4 |
| 21 (CH) | 135.9 |
| 22 (CH) | 110.9 |
| 23 (CH) | 140.8 |
| 28 (CH3) | 27.5 |
| 29 (CH3) | 22.5 |
| 7a (CH3) | 52.8 |
