Spektraris NMR
Xuuranin
Common Name: Xuuranin
Synonyms: Xuuranin
CAS Registry Number:
InChI: InChI=1S/C22H24O4/c1-22(2)11-10-15-17(26-22)13-19-20(21(15)24-4)18(23-3)12-16(25-19)14-8-6-5-7-9-14/h5-11,13,16,18H,12H2,1-4H3/t16-,18+/m0/s1
InChIKey: InChIKey=GFVVFOVUYZBZJA-FUHWJXTLSA-N
Formula: C22H24O4
Molecular Weight: 352.424388
Exact Mass: 352.167459
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Borges-Argaez, R., Penia-Rodriguez, L.M., Waterman, P.G. Phytochemistry (2000) 54, 611-4
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavanols; 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 (CH) | 73.3 |
| 3 (CH2) | 34.1 |
| 4 (CH) | 68.2 |
| 5 (C) | 156 |
| 6 (C) | 108.4 |
| 7 (C) | 156.3 |
| 8 (CH) | 100.8 |
| 9 (C) | 155.1 |
| 10 (C) | 108.6 |
| 1' (C) | 141.2 |
| 2' (CH) | 128 |
| 3' (CH) | 128.5 |
| 4' (CH) | 128 |
| 5' (CH) | 128.5 |
| 6' (CH) | 128 |
| 2'' (C) | 76.1 |
| 3'' (CH) | 126.4 |
| 4'' (CH) | 117 |
| 5'' (CH3) | 27.7 |
| 6'' (CH3) | 28 |
| 4a (CH3) | 55.8 |
| 5a (CH3) | 62.9 |
