Spektraris NMR
Ethoxyvalerianol
Common Name: Ethoxyvalerianol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H34O4/c1-7-22-17(4,5)14-10-9-13(3)19(21)12-16(20)18(6,23-8-2)15(19)11-14/h11,13-14,16,20-21H,7-10,12H2,1-6H3/t13-,14+,16-,18+,19-/m0/s1
InChIKey: InChIKey=NBXXALBMPSCAMI-FOQHCXHFSA-N
Formula: C19H34O4
Molecular Weight: 326.471587
Exact Mass: 326.24571
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Qi, H.Y., Wei, X.N., Shi, Y.P. J Asian Nat Prod Res (2009) 11, 33-7
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 (C) | 83.5 |
| 2 (CH2) | 45.1 |
| 3 (CH) | 78.7 |
| 4 (C) | 86.3 |
| 5 (C) | 146.6 |
| 6 (CH) | 133.8 |
| 7 (CH) | 44.7 |
| 8 (CH2) | 30.4 |
| 9 (CH2) | 34.8 |
| 10 (CH) | 40.8 |
| 11 (C) | 76.3 |
| 12 (CH3) | 22.9 |
| 13 (CH3) | 23 |
| 14 (CH3) | 17.7 |
| 15 (CH3) | 16.1 |
| 4a (CH2) | 56.4 |
| 4b (CH3) | 15.9 |
| 11a (CH2) | 55.9 |
| 11b (CH3) | 16 |
