Spektraris NMR
Valerenolic Acid
Common Name: Valerenolic Acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O3/c1-8-4-5-11(6-10(3)15(17)18)13-9(2)7-12(16)14(8)13/h6,8,11-12,14,16H,4-5,7H2,1-3H3,(H,17,18)/b10-6+/t8-,11+,12-,14-/m1/s1
InChIKey: InChIKey=XJNQXTISSHEQKD-CTDANYSGSA-N
Formula: C15H22O3
Molecular Weight: 250.33395
Exact Mass: 250.156895
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Birnbaum, G.I., Findlay, J.A., Krepinsky, J.J. J Org Chem (1978) 43, 272
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) | 57.7 |
| 2 (CH) | 73.4 |
| 3 (CH2) | 47.8 |
| 4 (C) | 128.6 |
| 5 (C) | 131.7 |
| 6 (CH) | 34.7 |
| 7 (CH) | 145 |
| 8 (CH2) | 25.4 |
| 9 (CH2) | 28.8 |
| 10 (CH) | 31.4 |
| 11 (C) | 125.9 |
| 12 (CH3) | 13.4 |
| 13 (C) | 172.8 |
| 14 (CH3) | 12.1 |
| 15 (CH3) | 12.9 |
