Spektraris NMR
Toonaciliatins B
Common Name: Toonaciliatins B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H30O8/c1-22-11-32-18(28)8-14(22)23(2)16(9-15(22)27)33-19-20(23)25(4,30)26-17(34-26)7-13(12-5-6-31-10-12)24(26,3)21(19)29/h5-6,9-10,13-14,17,19-21,29-30H,7-8,11H2,1-4H3/t13-,14-,17+,19-,20+,21-,22+,23+,24+,25+,26+/m0/s1
InChIKey: InChIKey=FJVMSNLUPRUNSI-ONDSWHOJSA-N
Formula: C26H30O8
Molecular Weight: 470.512595
Exact Mass: 470.194068
NMR Solvent: CDCl3
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) | 187.1 |
| 2 (CH) | 97 |
| 3 (C) | 198.3 |
| 4 (C) | 44.2 |
| 5 (CH) | 46.5 |
| 6 (CH2) | 30.5 |
| 7 (C) | 173.2 |
| 8 (C) | 74.3 |
| 9 (CH) | 55.3 |
| 10 (C) | 48.4 |
| 11 (CH) | 83.3 |
| 12 (CH) | 71 |
| 13 (C) | 47.6 |
| 14 (C) | 74 |
| 15 (CH) | 56.3 |
| 16 (CH2) | 31.6 |
| 17 (CH) | 41.6 |
| 18 (CH3) | 16.4 |
| 19 (CH3) | 19.9 |
| 20 (C) | 123 |
| 21 (CH) | 140.2 |
| 22 (CH) | 111.8 |
| 23 (CH) | 143.3 |
| 28 (CH3) | 27.8 |
| 29 (CH2) | 72.2 |
| 30 (CH3) | 24.2 |
