Spektraris NMR
Macharistol
Common Name: Macharistol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H18O4/c1-20-16-13(11-14(18)17(21-2)15(16)19)10-6-9-12-7-4-3-5-8-12/h3-9,11,18-19H,10H2,1-2H3/b9-6+
InChIKey: InChIKey=UNXRJDKKDAMIOH-RMKNXTFCSA-N
Formula: C17H18O4
Molecular Weight: 286.323064
Exact Mass: 286.120509
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Seo, E.K., Kim, N.C., Mi, Q., Chai, H., Wall, M.E., Wani, M.C., Navarro, H.A., Burgess, J.P., Graham, J.G., Cabieses, F., Tan, G.T., Farnsworth, N.R., Pezzuto, J.M., Kinghorn, A.D. J Nat Prod (2001) 64, 1483-5
Species:
Notes: Family : Flavonoids, Type : Chalconoids; 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) | 124.8 |
| 2 (C) | 144 |
| 3 (C) | 140.1 |
| 4 (C) | 140.2 |
| 5 (C) | 134.9 |
| 6 (CH) | 111 |
| α (CH) | 129.2 |
| β (CH2) | 32.7 |
| 1' (C) | 137.6 |
| 2' (CH) | 126.1 |
| 3' (CH) | 128.5 |
| 4' (CH) | 127 |
| 5' (CH) | 128.5 |
| 6' (CH) | 126.1 |
| β' (CH) | 130.9 |
| 2a (CH3) | 61 |
| 4a (CH3) | 60.9 |
