Spektraris NMR
Ferupennin J
Common Name: Ferupennin J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H24O8/c1-9(2)19(25)27-14-7-12(8-22)16-13(24)6-10(3)15(16)18-17(14)21(5,20(26)28-18)29-11(4)23/h6,14-15,17-18,22H,1,7-8H2,2-5H3/t14-,15+,17+,18-,21-/m0/s1
InChIKey: InChIKey=MPVMGEKZWJBZHH-WNXQOTDXSA-N
Formula: C21H24O8
Molecular Weight: 404.411271
Exact Mass: 404.147118
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shikishima, Y., Takaishi, Y., Honda, G., Ito, M., Takeda, Y., Tori, M., Takaoka, S., Kodzhimatov, O.K., Ashurmetov, O. J Nat Prod (2002) 65, 1897-903
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) | 131.5 |
| 2 (C) | 195.9 |
| 3 (CH) | 135.6 |
| 4 (C) | 172.6 |
| 5 (CH) | 48 |
| 6 (CH) | 78.1 |
| 7 (CH) | 47.3 |
| 8 (CH) | 68 |
| 9 (CH2) | 40.9 |
| 10 (C) | 149.4 |
| 11 (C) | 78 |
| 12 (C) | 173.2 |
| 13 (CH3) | 20.6 |
| 14 (CH2) | 63.4 |
| 15 (CH3) | 20.6 |
| 8a (C) | 166.2 |
| 8b (C) | 135.9 |
| 8c (CH2) | 127.2 |
| 8d (CH3) | 18.3 |
| 11a (C) | 170.1 |
| 11b (CH3) | 20.9 |
