Spektraris NMR
Toonaciliatins E
Common Name: Toonaciliatins E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H38O9/c1-16(30)36-22(24(33)34-7)23-25(2,3)37-21(32)9-11-26(23,4)19-8-12-27(5)18(17-10-13-35-15-17)14-20(31)29(27)28(19,6)38-29/h9-11,13,15,18-20,22-23,31H,8,12,14H2,1-7H3/t18-,19+,20+,22+,23-,26+,27-,28+,29-/m0/s1
InChIKey: InChIKey=YUGPXFBJZOAFLD-IUHLTIPPSA-N
Formula: C29H38O9
Molecular Weight: 530.607734
Exact Mass: 530.251583
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 (CH) | 150.7 |
| 2 (CH) | 121.4 |
| 3 (C) | 166.5 |
| 4 (C) | 83.7 |
| 5 (CH) | 51.6 |
| 6 (CH) | 70.1 |
| 7 (C) | 170.3 |
| 8 (C) | 65.9 |
| 9 (CH) | 51.6 |
| 10 (C) | 46.7 |
| 11 (CH2) | 20 |
| 12 (CH2) | 29.2 |
| 13 (C) | 41.8 |
| 14 (C) | 77.2 |
| 15 (CH) | 74.9 |
| 16 (CH2) | 39 |
| 17 (CH) | 42.6 |
| 18 (CH3) | 18.5 |
| 19 (CH3) | 24.3 |
| 20 (C) | 123.1 |
| 21 (CH) | 139.7 |
| 22 (CH) | 110.8 |
| 23 (CH) | 142.6 |
| 28 (CH3) | 25.6 |
| 29 (CH3) | 30.1 |
| 30 (CH3) | 27 |
| 6a (C) | 169.5 |
| 6b (CH3) | 21 |
| 7a (CH3) | 53.2 |
