Spektraris NMR
Acetylated vibralactone
Common Name: Acetylated vibralactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C14H18O4/c1-9(2)4-5-14-7-11(8-17-10(3)15)6-12(14)18-13(14)16/h4,7,12H,5-6,8H2,1-3H3/t12-,14+/m0/s1
InChIKey: InChIKey=JPFWXYHSHUIUDU-GXTWGEPZSA-N
Formula: C14H18O4
Molecular Weight: 250.290856
Exact Mass: 250.120509
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jiang, M.Y., Wang, F., Yang, X.L., Fang, L.Z., Dong, Z.J., Zhu, H.J., Liu, J.K. Chem Pharm Bull (2008) 56, 1286-8
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Vibralactones; 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) | 75.4 |
| 2 (CH) | 125.1 |
| 3 (C) | 141.3 |
| 4 (CH2) | 37.7 |
| 5 (CH) | 78.2 |
| 7 (C) | 172.4 |
| 8 (CH2) | 27.5 |
| 9 (CH) | 117.1 |
| 10 (C) | 136.2 |
| 11 (CH3) | 18 |
| 12 (CH3) | 25.8 |
| 13 (CH2) | 62 |
| 13a (C) | 170.5 |
| 13b (CH3) | 20.8 |
