Spektraris NMR
Eupachinilide I
Common Name: Eupachinilide I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O7/c1-12-8-17(24)9-13(2)11-19-20(15(4)22(26)29-19)18(10-12)28-21(25)14(3)6-7-27-16(5)23/h6,8,11,17-20,24H,4,7,9-10H2,1-3,5H3/b12-8+,13-11+,14-6-/t17-,18-,19-,20-/m1/s1
InChIKey: InChIKey=GHYQAZLCOXMXSD-RONZUUBFSA-N
Formula: C22H28O7
Molecular Weight: 404.454365
Exact Mass: 404.183503
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) | 134.1 |
| 2 (CH) | 69.1 |
| 3 (CH2) | 48.6 |
| 4 (C) | 142.7 |
| 5 (CH) | 129.2 |
| 6 (CH) | 75.4 |
| 7 (CH) | 52.9 |
| 8 (CH) | 71.7 |
| 9 (CH2) | 43.7 |
| 10 (C) | 134.6 |
| 11 (C) | 136.2 |
| 12 (C) | 169.3 |
| 13 (CH2) | 121.3 |
| 14 (CH3) | 19.6 |
| 15 (CH3) | 18.6 |
| 8a (C) | 165.3 |
| 8b (C) | 127.3 |
| 8c (CH) | 140.9 |
| 8d (CH2) | 62.8 |
| 8e (CH3) | 19.7 |
| 8f (C) | 170.7 |
| 8g (CH3) | 20.8 |
