Spektraris NMR
8-Acetylsalonitenolide
Common Name: 8-Acetylsalonitenolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H22O5/c1-10-5-4-6-13(9-18)8-15-16(11(2)17(20)22-15)14(7-10)21-12(3)19/h5,8,14-16,18H,2,4,6-7,9H2,1,3H3/b10-5+,13-8-/t14-,15+,16+/m0/s1
InChIKey: InChIKey=OSFQXWBKJKNDSB-ZOCVFQHJSA-N
Formula: C17H22O5
Molecular Weight: 306.354231
Exact Mass: 306.146724
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Neves, M., Morais, R., Gafner, S., Stoeckli-Evans, H., Hostettmann, K. Phytochemistry (1999) 50, 967-72
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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) | 128.7 |
| 2 (CH2) | 26.2 |
| 3 (CH2) | 34.6 |
| 4 (C) | 143.9 |
| 5 (CH) | 129.5 |
| 6 (CH) | 76.7 |
| 7 (CH) | 52.7 |
| 8 (CH) | 72.4 |
| 9 (CH2) | 49 |
| 10 (C) | 132.6 |
| 11 (C) | 135.4 |
| 12 (C) | 169.7 |
| 13 (CH2) | 125.4 |
| 14 (CH3) | 16.8 |
| 15 (CH2) | 61.5 |
| 8a (C) | 169.7 |
| 8b (CH3) | 21.2 |
