Spektraris NMR
xylogranatin H
Common Name: xylogranatin H
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H29NO6/c1-24(2)18-11-20(29)33-26(18,4)21-15(22(24)30)9-14-16-10-19(28)32-23(13-6-8-31-12-13)25(16,3)7-5-17(14)27-21/h6,8-9,12,16,18,22-23,30H,5,7,10-11H2,1-4H3/t16-,18-,22-,23-,25+,26-/m0/s1
InChIKey: InChIKey=YLSUPZOCEGYMQL-PQTKUSSNSA-N
Formula: C26H29N1O6
Molecular Weight: 451.512588
Exact Mass: 451.199488
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wu, J., Zhang, S., Bruhn, T., Xiao, Q., Ding, H., Bringmann, G. Chem Eur J (2008) 14, 1129-44
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 (C) | 153.2 |
| 2 (C) | 132.5 |
| 3 (CH) | 76.3 |
| 4 (C) | 37.3 |
| 5 (CH) | 47 |
| 6 (CH2) | 31.8 |
| 7 (C) | 174.5 |
| 8 (C) | 134.7 |
| 9 (C) | 158.2 |
| 10 (C) | 86 |
| 11 (CH2) | 28.8 |
| 12 (CH2) | 31.5 |
| 13 (C) | 37.6 |
| 14 (CH) | 41.8 |
| 15 (CH2) | 36.8 |
| 16 (C) | 178.5 |
| 17 (CH) | 81 |
| 18 (CH3) | 22.5 |
| 19 (CH3) | 28.6 |
| 20 (C) | 122.4 |
| 21 (CH) | 142.6 |
| 22 (CH) | 111 |
| 23 (CH) | 144.7 |
| 28 (CH3) | 24.1 |
| 29 (CH3) | 21.4 |
| 30 (CH) | 139.6 |
