Spektraris NMR
Eupachinilide J
Common Name: Eupachinilide J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O8/c1-11-8-16(24)20(25)13(3)10-18-19(14(4)22(27)30-18)17(9-11)29-21(26)12(2)6-7-28-15(5)23/h6,8,10,16-20,24-25H,4,7,9H2,1-3,5H3/b11-8+,12-6-,13-10+/t16-,17-,18-,19-,20-/m1/s1
InChIKey: InChIKey=RTTZVQOUFITRBN-BEQCSDHQSA-N
Formula: C22H28O8
Molecular Weight: 420.45377
Exact Mass: 420.178418
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yang, S.P., Huo, J., Wang, Y., Lou, L.G., Yue, J.M. J Nat Prod (2004) 67, 638-43
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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 (CH) | 126.2 |
| 2 (CH) | 74.6 |
| 3 (CH) | 83.5 |
| 4 (C) | 143.7 |
| 5 (CH) | 131.6 |
| 6 (CH) | 74.9 |
| 7 (CH) | 52.6 |
| 8 (CH) | 71.6 |
| 9 (CH2) | 43.9 |
| 10 (C) | 136.3 |
| 11 (C) | 135.9 |
| 12 (C) | 170.8 |
| 13 (CH2) | 121.9 |
| 14 (CH3) | 13.5 |
| 15 (CH3) | 19.7 |
| 8a (C) | 165.3 |
| 8b (C) | 127.3 |
| 8c (CH) | 141 |
| 8d (CH2) | 62.9 |
| 8e (CH3) | 20.1 |
| 8f (C) | 169.4 |
| 8g (CH3) | 20.8 |
