Spektraris NMR
Pyrodysinoic Acid
Common Name: Pyrodysinoic Acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H23NO4/c1-10-4-5-13-11(6-10)7-12-8-14(19)18(9-15(20)21)17(12,22)16(13,2)3/h6,8,11,13,22H,4-5,7,9H2,1-3H3,(H,20,21)
InChIKey: InChIKey=VUEDXIXQJLJGDY-UHFFFAOYSA-N
Formula: C17H23N1O4
Molecular Weight: 305.36951
Exact Mass: 305.162708
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Goetz, G.H., Harrigan, G.G., Likos, J. J Nat Prod (2001) 64, 1486-8
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Furodysanes; 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) | 172.5 |
| 2 (CH) | 117.7 |
| 3 (C) | 161.7 |
| 4 (CH2) | 31 |
| 5 (CH) | 32.6 |
| 6 (CH) | 124.9 |
| 7 (C) | 133.3 |
| 8 (CH2) | 31.2 |
| 9 (CH2) | 17.6 |
| 10 (CH) | 45.8 |
| 11 (C) | 39.7 |
| 12 (CH3) | 20.3 |
| 13 (CH3) | 26.7 |
| 14 (CH3) | 22.7 |
| 15 (C) | 67 |
| 15a (CH2) | 44 |
| 15b (C) | 170.8 |
