Spektraris NMR
15-Methoxy-15-epi-cyllenin A
Common Name: 15-Methoxy-15-epi-cyllenin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O5/c1-13-10-14-16-18(2,17(22)25-14)6-5-7-19(16,3)21(13)9-8-20(26-21)11-15(23-4)24-12-20/h13-16H,5-12H2,1-4H3/t13-,14-,15+,16+,18+,19+,20+,21-/m1/s1
InChIKey: InChIKey=QBCPPXUWUDONEX-SEPVDIHQSA-N
Formula: C21H32O5
Molecular Weight: 364.476583
Exact Mass: 364.224974
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rigano, D., Grassia, A., Bruno, M., Rosselli, S., Piozzi, F., Formisano, C., Arnold, N.A., Senatore, F. J Nat Prod (2006) 69, 836-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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 (CH2) | 28.6 |
| 2 (CH2) | 17.8 |
| 3 (CH2) | 28.2 |
| 4 (C) | 44 |
| 5 (CH) | 45.7 |
| 6 (CH) | 76.4 |
| 7 (CH2) | 31.4 |
| 8 (CH) | 31.9 |
| 9 (C) | 90 |
| 10 (C) | 39 |
| 11 (CH2) | 29 |
| 12 (CH2) | 39.6 |
| 13 (C) | 89.3 |
| 14 (CH2) | 47.4 |
| 15 (CH) | 105 |
| 16 (CH2) | 75.2 |
| 17 (CH3) | 16.9 |
| 18 (CH3) | 23 |
| 19 (C) | 183.8 |
| 20 (CH3) | 23.2 |
| 15a (CH3) | 55.2 |
