Spektraris NMR
Toonaciliatins A
Common Name: Toonaciliatins A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H28O10/c1-20-11(10-5-6-32-9-10)7-14-25(20,34-14)22(3,30)16-15(17(20)27)33-13-8-12(26)23(4)24(31,21(13,16)2)18(28)19(29)35-23/h5-6,8-9,11,14-18,27-28,30-31H,7H2,1-4H3/t11-,14+,15-,16+,17-,18-,20+,21+,22+,23-,24-,25+/m0/s1
InChIKey: InChIKey=ZAWCFJLPRJGSNA-SNPYWUFNSA-N
Formula: C25H28O10
Molecular Weight: 488.484788
Exact Mass: 488.168247
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 (C) | 191.8 |
| 2 (CH) | 97.7 |
| 3 (C) | 193.8 |
| 4 (C) | 86.3 |
| 5 (C) | 82 |
| 6 (CH) | 77.3 |
| 7 (C) | 174.9 |
| 8 (C) | 77.3 |
| 9 (CH) | 47 |
| 10 (C) | 53.6 |
| 11 (CH) | 85.3 |
| 12 (CH) | 73.4 |
| 13 (C) | 48.6 |
| 14 (C) | 74.3 |
| 15 (CH) | 57.2 |
| 16 (CH2) | 32.8 |
| 17 (CH) | 43.6 |
| 18 (CH3) | 16.1 |
| 19 (CH3) | 23.3 |
| 20 (C) | 124.7 |
| 21 (CH) | 141.4 |
| 22 (CH) | 112.7 |
| 23 (CH) | 144.4 |
| 28 (CH3) | 22.6 |
| 30 (CH3) | 23.3 |
