Spektraris NMR
Acetoxyvalerenic acid
Common Name: Acetoxyvalerenic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H24O4/c1-9-5-6-13(7-11(3)17(19)20)15-10(2)8-14(16(9)15)21-12(4)18/h7,9,13-14,16H,5-6,8H2,1-4H3,(H,19,20)/b11-7+/t9-,13+,14-,16-/m1/s1
InChIKey: InChIKey=VBBXZFLAYWAXSK-BRDXDOJJSA-N
Formula: C17H24O4
Molecular Weight: 292.370708
Exact Mass: 292.167459
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) | 54.7 |
| 2 (CH) | 75.7 |
| 3 (CH2) | 44.6 |
| 4 (C) | 125.9 |
| 5 (C) | 128.6 |
| 6 (CH) | 34.4 |
| 7 (CH) | 145 |
| 8 (CH2) | 28.5 |
| 9 (CH2) | 25.4 |
| 10 (CH) | 31.2 |
| 11 (C) | 131.6 |
| 12 (CH3) | 12 |
| 13 (C) | 173.7 |
| 14 (CH3) | 12.7 |
| 15 (CH3) | 13.2 |
| 2a (C) | 171.2 |
| 2b (CH3) | 21.3 |
