Spektraris NMR
CHEMBL388763
Common Name: CHEMBL388763
Synonyms: CHEMBL388763
CAS Registry Number:
InChI: InChI=1S/C19H26O6/c1-11(2)18(22)24-15-7-13(9-20)5-4-6-14(10-21)8-16-17(15)12(3)19(23)25-16/h6,13,15-17,20-21H,1,3-5,7-10H2,2H3/b14-6+/t13-,15-,16-,17-/m1/s1
InChIKey: InChIKey=HWLLDIMNUIOXAQ-MCBKFPHBSA-N
Formula: C19H26O6
Molecular Weight: 350.406871
Exact Mass: 350.172939
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, W., Tang, W., Zhang, R., Lou, L., Zhao, W. J Nat Prod (2007) 70, 567-70
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 (CH2) | 30.1 |
| 2 (CH2) | 26.4 |
| 3 (CH) | 131.3 |
| 4 (C) | 133.2 |
| 5 (CH2) | 30.7 |
| 6 (CH) | 77.4 |
| 7 (CH) | 47.6 |
| 8 (CH) | 79.2 |
| 9 (CH2) | 40.3 |
| 10 (CH) | 41.9 |
| 11 (C) | 136.8 |
| 12 (C) | 170 |
| 13 (CH2) | 123.9 |
| 14 (CH2) | 67.6 |
| 15 (CH2) | 67.4 |
| 8a (C) | 166.7 |
| 8b (C) | 135.5 |
| 8c (CH2) | 126.8 |
| 8ba (CH3) | 18 |
