Spektraris NMR
Ferupennin I
Common Name: Ferupennin I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H26O8/c1-6-10(2)20(26)28-15-7-11(3)16-14(25)8-13(9-23)17(16)19-18(15)22(5,21(27)29-19)30-12(4)24/h6,8,15,17-19,23H,7,9H2,1-5H3/b10-6-/t15-,17+,18+,19-,22-/m0/s1
InChIKey: InChIKey=DITPMESACDRAQN-DJKCKTGRSA-N
Formula: C22H26O8
Molecular Weight: 418.437889
Exact Mass: 418.162768
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) | 128.8 |
| 2 (C) | 194.7 |
| 3 (CH) | 134 |
| 4 (C) | 171.3 |
| 5 (CH) | 45.1 |
| 6 (CH) | 78.2 |
| 7 (CH) | 47.5 |
| 8 (CH) | 67.2 |
| 9 (CH2) | 44.1 |
| 10 (C) | 146.6 |
| 11 (C) | 78.2 |
| 12 (C) | 173.8 |
| 13 (CH3) | 20.5 |
| 14 (CH3) | 20.2 |
| 15 (CH2) | 62.7 |
| 8a (C) | 166.5 |
| 8b (C) | 126.8 |
| 8c (CH) | 141.4 |
| 8d (CH3) | 20.4 |
| 8e (CH3) | 16.1 |
| 11a (C) | 170.2 |
| 11b (CH3) | 21 |
