Spektraris NMR
Toonaciliatins D
Common Name: Toonaciliatins D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H36O8/c1-23(2,30)17-10-21(29)35-26(5)22-16(33-18(25(17,22)4)11-20(28)31-6)12-24(3)15(14-7-8-32-13-14)9-19-27(24,26)34-19/h7-8,13,15-19,22,30H,9-12H2,1-6H3/t15-,16+,17+,18-,19+,22+,24-,25+,26+,27+/m0/s1
InChIKey: InChIKey=UFZHJXOBYWWVDW-SAYPHONQSA-N
Formula: C27H36O8
Molecular Weight: 488.570976
Exact Mass: 488.241018
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) | 87 |
| 2 (CH2) | 38.5 |
| 3 (C) | 173.8 |
| 4 (C) | 74.4 |
| 5 (CH) | 57 |
| 6 (CH2) | 37.6 |
| 7 (C) | 173 |
| 8 (C) | 82.3 |
| 9 (CH) | 61.8 |
| 10 (C) | 50.6 |
| 11 (CH) | 71.9 |
| 12 (CH2) | 42.4 |
| 13 (C) | 41.3 |
| 14 (C) | 71.6 |
| 15 (CH) | 56.1 |
| 16 (CH2) | 31 |
| 17 (CH) | 41.8 |
| 18 (CH3) | 23 |
| 19 (CH3) | 12.8 |
| 20 (C) | 122.5 |
| 21 (CH) | 139.4 |
| 22 (CH) | 110.5 |
| 23 (CH) | 143.1 |
| 28 (CH3) | 24.7 |
| 29 (CH3) | 34.1 |
| 30 (CH3) | 20.1 |
| 3a (CH3) | 51.8 |
