Spektraris NMR
CHEMBL447313
Common Name: CHEMBL447313
Synonyms: CHEMBL447313
CAS Registry Number:
InChI: InChI=1S/C20H26O5/c1-6-12(3)19(22)25-18-13(4)9-7-8-11(2)10-15-16(17(18)21)14(5)20(23)24-15/h6,9-10,15-18,21H,5,7-8H2,1-4H3/b11-10+,12-6+,13-9+/t15-,16-,17+,18+/m0/s1
InChIKey: InChIKey=SLFNZRXROGKMKG-DVDXZMGRSA-N
Formula: C20H26O5
Molecular Weight: 346.418202
Exact Mass: 346.178024
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Muller, S., Murillo, R., Castro, V., Brecht, V., Merfort, I. J Nat Prod (2004) 67, 622-30
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) | 129.4 |
| 2 (CH2) | 25.2 |
| 3 (CH2) | 38.9 |
| 4 (C) | 135.4 |
| 5 (CH) | 123.4 |
| 6 (CH) | 68.7 |
| 7 (CH) | 47.5 |
| 8 (CH) | 82.5 |
| 9 (CH) | 75.7 |
| 10 (C) | 138 |
| 11 (C) | 135.1 |
| 12 (C) | 170 |
| 13 (CH2) | 126.5 |
| 14 (CH3) | 19.3 |
| 15 (CH3) | 16.9 |
| 8a (C) | 167.2 |
| 8b (C) | 128.5 |
| 8c (CH) | 137.8 |
| 8d (CH3) | 14.4 |
| 8e (CH3) | 12.1 |
