Spektraris NMR
E-Valerenyl Isovalerate
Common Name: E-Valerenyl Isovalerate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O2/c1-13(2)10-19(21)22-12-14(3)11-17-8-6-15(4)18-9-7-16(5)20(17)18/h11,13,15,17-18H,6-10,12H2,1-5H3/b14-11+/t15-,17+,18+/m1/s1
InChIKey: InChIKey=QFANMAOKAWEBQA-WJGIAVAISA-N
Formula: C20H32O2
Molecular Weight: 304.467632
Exact Mass: 304.24023
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bos, R., Hendriks, H., Brunins, A.P., Kloosterman, J., Sipma, G. Phytochemistry (1986) 25, 133-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Valerenanes; 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) | 47.5 |
| 2 (CH2) | 24.7 |
| 3 (CH2) | 37.5 |
| 4 (C) | 128.6 |
| 5 (C) | 129.3 |
| 6 (CH) | 33.4 |
| 7 (CH) | 131 |
| 8 (CH2) | 26.2 |
| 9 (CH2) | 28.8 |
| 10 (CH) | 33.5 |
| 11 (C) | 135 |
| 12 (CH3) | 13.9 |
| 13 (CH2) | 70 |
| 14 (CH3) | 12.1 |
| 15 (CH3) | 13.3 |
| 13a (C) | 172.6 |
| 13b (CH2) | 43.6 |
| 13c (CH) | 25.8 |
| 13d (CH3) | 22.4 |
| 13e (CH3) | 22.4 |
