Spektraris NMR
Sesquiterpene EM-If
Common Name: Sesquiterpene EM-If
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O6/c1-10-6-15(22)7-11(2)9-17-18(13(4)20(24)26-17)16(8-10)25-19(23)12(3)14(5)21/h6,9,14-18,21-22H,3-4,7-8H2,1-2,5H3/b10-6+,11-9+/t14-,15+,16+,17+,18+/m0/s1
InChIKey: InChIKey=ZUWTXBAXVWIFMS-XNCBTXOFSA-N
Formula: C20H26O6
Molecular Weight: 362.417607
Exact Mass: 362.172939
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Herz, W., Kumar, N. J Org Chem (1980) 45, 489
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) | 133.2 |
| 2 (CH) | 67.9 |
| 3 (CH2) | 48.8 |
| 4 (C) | 142.3 |
| 5 (CH) | 128.8 |
| 6 (CH) | 75.4 |
| 7 (CH) | 51.9 |
| 8 (CH) | 72.1 |
| 9 (CH2) | 43.1 |
| 10 (C) | 132.4 |
| 11 (C) | 137.3 |
| 12 (C) | 169 |
| 13 (CH2) | 120.3 |
| 14 (CH3) | 19.7 |
| 15 (CH3) | 18.3 |
| 8a (C) | 164.9 |
| 8b (C) | 145.3 |
| 8c (CH) | 64.5 |
| 8d (CH3) | 23.2 |
| 8e (CH2) | 123.3 |
