Spektraris NMR
Machaeriol A
Common Name: Machaeriol A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C24H28O2/c1-16-9-12-20-19(13-16)23-21(25)14-18(15-22(23)26-24(20,2)3)11-10-17-7-5-4-6-8-17/h4-8,10-11,14-16,19-20,25H,9,12-13H2,1-3H3/b11-10+/t16-,19-,20-/m0/s1
InChIKey: InChIKey=KCNFZTIIENBEPU-TUCATBTLSA-N
Formula: C24H28O2
Molecular Weight: 348.478812
Exact Mass: 348.20893
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Muhammad, I., Li, X.C., Dunbar, D.C., ElSohly, M.A., Khan, I.A. J Nat Prod (2001) 64, 1322-5
Species:
Notes: Family : Aromatics, Type : Stilbenes, Group : Stilbenes; 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) | 137.2 |
| 2 (CH) | 106.1 |
| 3 (C) | 155.8 |
| 4 (C) | 113.5 |
| 5 (C) | 155.6 |
| 6 (CH) | 108.9 |
| α (CH) | 128.9 |
| β (CH) | 128.6 |
| 1' (C) | 137.8 |
| 2' (CH) | 126.9 |
| 3' (CH) | 129.1 |
| 4' (CH) | 127.9 |
| 5' (CH) | 129.1 |
| 6' (CH) | 126.9 |
| 2'' (C) | 77.8 |
| 3'' (CH) | 49.5 |
| 4'' (CH) | 36.1 |
| 5'' (CH3) | 28.1 |
| 6'' (CH3) | 19.5 |
| 1''' (CH2) | 39.4 |
| 2''' (CH) | 33.3 |
| 3''' (CH2) | 35.9 |
| 4''' (CH2) | 28.5 |
| 2'''a (CH3) | 23 |
