Spektraris NMR
3-Deoxy-MS-II
Common Name: 3-Deoxy-MS-II
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H24O4/c1-24(2)12-10-16-21(28-24)17-11-13-25(3,4)29-23(17)20-18(26)14-19(27-22(16)20)15-8-6-5-7-9-15/h5-13,19H,14H2,1-4H3/t19-/m0/s1
InChIKey: InChIKey=CDAWECAKOUKTMT-IBGZPJMESA-N
Formula: C25H24O4
Molecular Weight: 388.456595
Exact Mass: 388.167459
NMR Solvent:
MHz:
Calibration:
NMR references: 13C - Cao, S., Schilling, J.K., Miller, J.S., Andriantsiferana, R., Rasamison, V.E., Kingston, D.G. J Nat Prod (2004) 67, 454-6
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavanones; 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) | 79 |
| 3 (CH2) | 46 |
| 4 (C) | 188.7 |
| 5 (C) | 154.2 |
| 6 (C) | 104.6 |
| 7 (C) | 155.9 |
| 8 (C) | 102.3 |
| 9 (C) | 157.5 |
| 10 (C) | 105.5 |
| 1' (C) | 139.1 |
| 2' (CH) | 126 |
| 3' (CH) | 128.7 |
| 4' (CH) | 128.5 |
| 5' (CH) | 128.7 |
| 6' (CH) | 126 |
| 2'' (C) | 77.9 |
| 3'' (CH) | 126.6 |
| 4'' (CH) | 116.3 |
| 5'' (CH3) | 28.2 |
| 6'' (CH3) | 28.5 |
| 2''' (C) | 77.8 |
| 3''' (CH) | 126.2 |
| 4''' (CH) | 115.9 |
| 5''' (CH3) | 27.9 |
| 6''' (CH3) | 28.1 |
