Spektraris NMR
Eupachinilide B
Common Name: Eupachinilide B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O7/c1-8(5-6-21)18(23)25-11-7-9(2)12-14(20(4)17(27-20)15(12)22)16-13(11)10(3)19(24)26-16/h5,11-17,21-22H,2-3,6-7H2,1,4H3/b8-5+/t11-,12?,13-,14?,15+,16+,17-,20+/m1/s1
InChIKey: InChIKey=PWJPDPKHMIOIIC-UPYDSTECSA-N
Formula: C20H24O7
Molecular Weight: 376.401131
Exact Mass: 376.152203
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 : 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 (CH) | 51.5 |
| 2 (CH) | 75.9 |
| 3 (CH) | 65.1 |
| 4 (C) | 66.2 |
| 5 (CH) | 49.5 |
| 6 (CH) | 77.2 |
| 7 (CH) | 48.2 |
| 8 (CH) | 68.7 |
| 9 (CH2) | 37.5 |
| 10 (C) | 140.5 |
| 11 (C) | 133.9 |
| 12 (C) | 169.5 |
| 13 (CH2) | 122.7 |
| 14 (CH2) | 120.4 |
| 15 (CH3) | 18.3 |
| 8a (C) | 166.8 |
| 8b (C) | 127.7 |
| 8c (CH) | 141.2 |
| 8d (CH2) | 59.5 |
| 8e (CH3) | 12.7 |
