Spektraris NMR
eudesmanolide
Common Name: eudesmanolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H32O9/c1-10(2)20(26)31-16-15-11(3)21(27)32-17(15)19(30-13(5)25)23(7)14(29-12(4)24)8-9-22(6,28)18(16)23/h10,14-19,28H,3,8-9H2,1-2,4-7H3/t14-,15-,16-,17-,18+,19-,22-,23+/m1/s1
InChIKey: InChIKey=KVHFFLLKCQPXDW-ZVSMCMQZSA-N
Formula: C23H32O9
Molecular Weight: 452.495674
Exact Mass: 452.204633
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Cechinel Filho, V., Block, L.C., Yunes, R.A., Delle Monache, F. Nat Prod Res (2004) 18, 447-51
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) | 73 |
| 2 (CH2) | 24 |
| 3 (CH2) | 41.3 |
| 4 (C) | 71.2 |
| 5 (CH) | 43.5 |
| 6 (CH) | 68 |
| 7 (CH) | 45 |
| 8 (CH) | 72.1 |
| 9 (CH) | 70.7 |
| 10 (C) | 41.7 |
| 11 (C) | 134.1 |
| 12 (C) | 169.2 |
| 13 (CH2) | 119.2 |
| 14 (CH3) | 14.3 |
| 15 (CH3) | 26.4 |
| 1a (C) | 170.5 |
| 1b (CH3) | 21 |
| 6a (C) | 176.2 |
| 6b (CH) | 34.5 |
| 6c (CH3) | 18.4 |
| 6d (CH3) | 19 |
| 9a (C) | 169.3 |
| 9b (CH3) | 20.3 |
