Spektraris NMR
(-)-cis Blechnic acid
Common Name: (-)-cis Blechnic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H14O8/c19-10-4-2-9(7-12(10)21)16-15(18(24)25)14-8(3-6-13(22)23)1-5-11(20)17(14)26-16/h1-7,15-16,19-21H,(H,22,23)(H,24,25)/b6-3-/t15-,16-/m1/s1
InChIKey: InChIKey=GJHXGOBGPWPCCK-MCIOBPLBSA-N
Formula: C18H14O8
Molecular Weight: 358.299656
Exact Mass: 358.068867
NMR Solvent: M+M
MHz:
Calibration:
NMR references: 13C - Davin L.B., Wang C.Z., Helms G.L., Lewis N.G. Phytochemistry (2003) 62, 501-11
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylpropanoids; 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) | 129.2 |
| 2 (CH) | 114.7 |
| 3 (C) | 145.8 |
| 4 (C) | 146.2 |
| 5 (CH) | 115.5 |
| 6 (CH) | 119.3 |
| 7 (CH) | 88 |
| 8 (CH) | 55.3 |
| 9 (C) | 173.9 |
| 1' (C) | 124.8 |
| 2' (CH) | 129.1 |
| 3' (CH) | 148.5 |
| 4' (C) | 143.7 |
| 5' (C) | 116.7 |
| 6' (C) | 124.1 |
| 7' (CH) | 139.7 |
| 8' (CH) | 120.2 |
| 9' (C) | 170.2 |
