Spektraris NMR
CHEMBL389917
Common Name: CHEMBL389917
Synonyms: CHEMBL389917
CAS Registry Number:
InChI: InChI=1S/C20H28O6/c1-4-12(2)19(23)25-16-8-14(10-21)6-5-7-15(11-22)9-17-18(16)13(3)20(24)26-17/h4,7,14,16-18,21-22H,3,5-6,8-11H2,1-2H3/b12-4-,15-7+/t14-,16-,17-,18-/m1/s1
InChIKey: InChIKey=OOKRHFBXNRLUNX-XBGVIYRFSA-N
Formula: C20H28O6
Molecular Weight: 364.433489
Exact Mass: 364.188589
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) | 30.2 |
| 2 (CH2) | 26.5 |
| 3 (CH) | 131.4 |
| 4 (C) | 133.3 |
| 5 (CH2) | 30.9 |
| 6 (CH) | 76.2 |
| 7 (CH) | 47.7 |
| 8 (CH) | 79.2 |
| 9 (CH2) | 40.4 |
| 10 (CH) | 42.2 |
| 11 (C) | 136.8 |
| 12 (C) | 169.8 |
| 13 (CH2) | 123.7 |
| 14 (CH2) | 67.8 |
| 15 (CH2) | 67.6 |
| 8a (C) | 167 |
| 8b (C) | 127.6 |
| 8c (CH) | 139.8 |
| 8ba (CH3) | 20.3 |
| 8ca (CH3) | 15.7 |
