Spektraris NMR
9-deacetoxyxeniculin
Common Name: 9-deacetoxyxeniculin
Synonyms: 9-deacetoxyxeniculin
CAS Registry Number:
InChI: InChI=1S/C24H34O6/c1-14-8-7-9-15(2)22-18(11-10-14)19(13-27-23(22)29-17(4)26)20(28-16(3)25)12-21-24(5,6)30-21/h8,13,18,20-23H,2,7,9-12H2,1,3-6H3/b14-8+/t18-,20?,21?,22+,23-/m1/s1
InChIKey: InChIKey=HYWGXXPXYSEUFQ-OWOWRESQSA-N
Formula: C24H34O6
Molecular Weight: 418.524077
Exact Mass: 418.235539
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Andrianasolo, E.H., Haramaty, L., Degenhardt, K., Mathew, R., White, E., Lutz, R., Falkowski, P. J Nat Prod (2007) 70, 1551-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Xenicanes; 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) | 151.3 |
| 2 (CH) | 49.9 |
| 3 (CH) | 36.7 |
| 4 (CH2) | 30.5 |
| 5 (CH2) | 40.2 |
| 6 (C) | 135.7 |
| 7 (CH) | 124.3 |
| 8 (CH2) | 25.1 |
| 9 (CH2) | 35.4 |
| 10 (C) | 116.1 |
| 11 (CH) | 72.4 |
| 12 (CH2) | 32.7 |
| 13 (CH) | 60.9 |
| 14 (C) | 58 |
| 15 (CH3) | 19 |
| 16 (CH3) | 24.6 |
| 17 (CH) | 140.5 |
| 18 (CH) | 91.7 |
| 19 (CH2) | 113.1 |
| 20 (CH3) | 17.7 |
| 11a (C) | 169.6 |
| 11b (CH3) | 21.3 |
| 18a (C) | 170.4 |
| 18b (CH3) | 21.3 |
