Spektraris NMR
Ferupennin E
Common Name: Ferupennin E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H26O8/c1-9-7-13(24)15-10(2)8-14(27-19(25)21(5)11(3)29-21)17-18(16(9)15)28-20(26)22(17,6)30-12(4)23/h7,11,14,16-18H,8H2,1-6H3/t11?,14-,16+,17+,18-,21?,22-/m0/s1
InChIKey: InChIKey=YQABOFISFLOPAF-YSTIFMSQSA-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) | 129.4 |
| 2 (C) | 194.7 |
| 3 (CH) | 136.4 |
| 4 (C) | 169.1 |
| 5 (CH) | 48.1 |
| 6 (CH) | 78.3 |
| 7 (CH) | 47.3 |
| 8 (CH) | 68.9 |
| 9 (CH2) | 44 |
| 10 (C) | 144.4 |
| 11 (C) | 77.9 |
| 12 (C) | 173.1 |
| 13 (CH3) | 19.1 |
| 14 (CH3) | 20.4 |
| 15 (CH3) | 20.4 |
| 8a (C) | 169.1 |
| 8b (C) | 59.6 |
| 8c (CH) | 60.3 |
| 8d (CH3) | 20.8 |
| 8e (CH3) | 13.8 |
| 11a (C) | 170 |
| 11b (CH3) | 21 |
