Spektraris NMR
2-Hydroxyl-2-[(E)-1α,2β,3-trihydroxyl-3-nonaene-5,7-diyne]-4H-pyran
![2-Hydroxyl-2-[(E)-1α,2β,3-trihydroxyl-3-nonaene-5,7-diyne]-4H-pyran](/nmr/static/nmr/svg/20636.svg)
Common Name: 2-Hydroxyl-2-[(E)-1α,2β,3-trihydroxyl-3-nonaene-5,7-diyne]-4H-pyran
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C14H18O5/c1-2-3-4-5-8-11(15)12(16)13(17)14(18)9-6-7-10-19-14/h8,12-13,15-18H,6-7,9-10H2,1H3/b11-8+/t12-,13+,14-/m1/s1
InChIKey: InChIKey=LQIJVRWISDIKEH-WUTXRSFBSA-N
Formula: C14H18O5
Molecular Weight: 266.290261
Exact Mass: 266.115424
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Piochon, M., Legault, J., Gauthier, C., Pichette, A. Phytochemistry (2009) 70, 228-36
Species:
Notes: Family : Polyketides, Type : Acetogenins; 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 (CH2) | 57.9 |
| 2 (CH2) | 24.7 |
| 3 (CH2) | 19.1 |
| 4 (CH2) | 28.1 |
| 5 (C) | 111.4 |
| 6 (CH) | 81.7 |
| 7 (CH) | 63 |
| 8 (C) | 168.6 |
| 9 (CH) | 84.8 |
| 10 (C) | 79.5 |
| 11 (C) | 69.9 |
| 12 (C) | 81 |
| 13 (C) | 65 |
| 14 (CH3) | 4.9 |
