Spektraris NMR
CHEMBL254629
Common Name: CHEMBL254629
Synonyms: CHEMBL254629
CAS Registry Number:
InChI: InChI=1S/C24H38O5/c1-17-10-8-11-18(2)22(23(27-6)28-7)21(14-13-17)20(16-29-19(3)25)12-9-15-24(4,5)26/h9-10,12,15,21-23,26H,2,8,11,13-14,16H2,1,3-7H3/b15-9+,17-10+,20-12-/t21-,22+/m1/s1
InChIKey: InChIKey=KHKOVGVTSNVTGM-WTGQBYQXSA-N
Formula: C24H38O5
Molecular Weight: 406.556435
Exact Mass: 406.271924
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) | 144 |
| 2 (CH) | 56.1 |
| 3 (CH) | 44.2 |
| 4 (CH2) | 35.8 |
| 5 (CH2) | 39.9 |
| 6 (C) | 135 |
| 7 (CH) | 124 |
| 8 (CH2) | 28.7 |
| 9 (CH2) | 30.8 |
| 10 (C) | 140.2 |
| 11 (CH) | 127 |
| 12 (CH) | 120 |
| 13 (CH) | 144.2 |
| 14 (C) | 70.8 |
| 15 (CH3) | 29.4 |
| 16 (CH3) | 29.4 |
| 17 (CH2) | 66 |
| 18 (CH) | 105 |
| 19 (CH2) | 111 |
| 20 (CH3) | 18.2 |
| 17a (C) | 170.9 |
| 17b (CH3) | 21.2 |
| 18a (CH3) | 56 |
| 18b (CH3) | 55 |
