Spektraris NMR
Ligulatrovine A
Common Name: Ligulatrovine A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H28O6/c1-15-11-21(13-19-7-5-9-23(25(15)19)27(29)30)33-17(3)18(4)34-22-12-16(2)26-20(14-22)8-6-10-24(26)28(31)32/h9-14H,5-8H2,1-4H3,(H,29,30)(H,31,32)/b18-17+
InChIKey: InChIKey=NWOXGKYWAHKTTL-ISLYRVAYSA-N
Formula: C28H28O6
Molecular Weight: 460.519376
Exact Mass: 460.188589
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, X., Sun, L., Huang, K., Shi, S., Zhang, L., Xu, J., Peng, H., Sun, X., Wang, L., Wu, X., Zhao, Y., Li, X., Stockigt, J., Qu, J. Chem Biodivers (2009) 6, 1053-65
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cacalols; 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 (CH2) | 31 |
| 2 (CH2) | 23.8 |
| 3 (CH) | 138.9 |
| 4 (C) | 134.4 |
| 5 (C) | 127.1 |
| 6 (C) | 117.6 |
| 7 (CH) | 142.3 |
| 8 (C) | 155.4 |
| 9 (CH) | 108.6 |
| 10 (C) | 136.9 |
| 11 (C) | 129.7 |
| 13 (CH3) | 11.1 |
| 14 (CH3) | 18.3 |
| 15 (C) | 169.6 |
| 1' (CH2) | 31 |
| 2' (CH2) | 23.8 |
| 3' (CH) | 138.9 |
| 4' (C) | 134.4 |
| 5' (C) | 127.1 |
| 6' (C) | 117.6 |
| 7' (CH) | 142.3 |
| 8' (C) | 155.4 |
| 9' (CH) | 108.6 |
| 10' (C) | 136.9 |
| 11' (C) | 129.7 |
| 13' (CH3) | 11.1 |
| 14' (CH3) | 18.3 |
| 15' (C) | 169.6 |
