Spektraris NMR
Toonaciliatins G
Common Name: Toonaciliatins G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H32O9/c1-20-9-13-17(22(3,29)25(20)16(33-25)7-12(20)11-5-6-31-10-11)21(2)15(32-13)8-14(26)23(4)24(21,30)18(27)19(28)34-23/h5-6,10,12-18,26-27,29-30H,7-9H2,1-4H3/t12-,13+,14+,15-,16+,17+,18-,20-,21+,22+,23-,24-,25+/m0/s1
InChIKey: InChIKey=LJYUJPUTKALHOJ-ATUOXGKOSA-N
Formula: C25H32O9
Molecular Weight: 476.517146
Exact Mass: 476.204633
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Liao, S.G., Yang, S.P., Yuan, T., Zhang, C.R., Chen, H.D., Wu, Y., Xu, Y.K., Yue, J.M. J Nat Prod (2007) 70, 1268-73
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) | 86.7 |
| 2 (CH2) | 38.8 |
| 3 (CH) | 71.4 |
| 4 (C) | 95.6 |
| 5 (C) | 84 |
| 6 (CH) | 77.7 |
| 7 (C) | 177.8 |
| 8 (C) | 76.5 |
| 9 (CH) | 55.1 |
| 10 (C) | 52.9 |
| 11 (CH) | 75.6 |
| 12 (CH2) | 48.9 |
| 13 (C) | 43.5 |
| 14 (C) | 74.6 |
| 15 (CH) | 57.4 |
| 16 (CH2) | 32.9 |
| 17 (CH) | 43.2 |
| 18 (CH3) | 24.2 |
| 19 (CH3) | 18.8 |
| 20 (C) | 124.6 |
| 21 (CH) | 141.4 |
| 22 (CH) | 112.2 |
| 23 (CH) | 144.8 |
| 28 (CH3) | 15.8 |
| 30 (CH3) | 23.3 |
