Spektraris NMR
Toonaciliatins C
Common Name: Toonaciliatins C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H36O10/c1-14(30)37-13-25(2)17(10-21(32)35-6)26(3)19(11-18(25)31)38-22-23(26)28(5,34)29-20(39-29)9-16(15-7-8-36-12-15)27(29,4)24(22)33/h7-8,11-12,16-17,20,22-24,33-34H,9-10,13H2,1-6H3/t16-,17-,20+,22-,23+,24-,25+,26+,27+,28+,29+/m0/s1
InChIKey: InChIKey=SSBUNXSELYWXIC-LOAFHAHDSA-N
Formula: C29H36O10
Molecular Weight: 544.591257
Exact Mass: 544.230847
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) | 185.7 |
| 2 (CH) | 99 |
| 3 (C) | 199.4 |
| 4 (C) | 48.4 |
| 5 (CH) | 48.4 |
| 6 (CH2) | 32.9 |
| 7 (C) | 174 |
| 8 (C) | 75.1 |
| 9 (CH) | 54.2 |
| 10 (C) | 49.2 |
| 11 (CH) | 80.9 |
| 12 (CH) | 71 |
| 13 (C) | 46.5 |
| 14 (C) | 73.3 |
| 15 (CH) | 55.7 |
| 16 (CH2) | 31 |
| 17 (CH) | 41.1 |
| 18 (CH3) | 15.4 |
| 19 (CH3) | 19.6 |
| 20 (C) | 122.2 |
| 21 (CH) | 139.4 |
| 22 (CH) | 110.6 |
| 23 (CH) | 143.2 |
| 28 (CH3) | 25.3 |
| 29 (CH2) | 66.3 |
| 30 (CH3) | 23.5 |
| 7a (CH3) | 52.2 |
| 29a (C) | 170.4 |
| 29b (CH3) | 20.9 |
