Spektraris NMR
Exostemin
Common Name: Exostemin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H16O6/c1-21-11-6-4-10(5-7-11)12-8-15(19)24-18-16(12)13(22-2)9-14(23-3)17(18)20/h4-9,20H,1-3H3
InChIKey: InChIKey=NBXASEHAOQMXCJ-UHFFFAOYSA-N
Formula: C18H16O6
Molecular Weight: 328.316728
Exact Mass: 328.094688
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Ito A., Chai H.B., Shin Y.G., Garcia R., Mejia M., Gao Q., Fairchild C.R., Lane K.E., Menendez A.T., Farnsworth N.R., Cordell G.A., Pezzuto J.M., Kinghorn A.D. Tetrahedron (2000) 56, 6401
Species:
Notes: Family : Flavonoids, Type : Neoflavonoids; 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 |
|---|---|
| 2 (C) | 160.1 |
| 3 (CH) | 113 |
| 4 (C) | 156.2 |
| 5 (C) | 150.3 |
| 6 (CH) | 93.6 |
| 7 (C) | 151.3 |
| 8 (C) | 151.3 |
| 9 (C) | 143.4 |
| 10 (C) | 104.9 |
| 1' (C) | 127.9 |
| 2' (CH) | 129.2 |
| 3' (CH) | 113.2 |
| 4' (C) | 160.4 |
| 5' (CH) | 113.2 |
| 6' (CH) | 129.2 |
| 5a (CH3) | 56.7 |
| 7a (CH3) | 56.9 |
| 4'a (CH3) | 55.7 |
