Spektraris NMR
Dp3G
Common Name: Dp3G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H20O12/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27)/p+1/t15-,17-,18+,19-,21-/m1/s1
InChIKey: InChIKey=XENHPQQLDPAYIJ-PEVLUNPASA-O
Formula: C21H21O12
Molecular Weight: 465.385069
Exact Mass: 465.103301
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - I.G. Collado, F.A. Macias, G.M. Massanet and F.R. Luis Free Radic Biol Med (2004) 36, 930-7
Species:
Notes: Family : Flavonoids, Type : Anthocyanidins; 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) | 162.93 |
| 3 (C) | 143.39 |
| 4 (CH) | 135.09 |
| 5 (C) | 156.35 |
| 6 (CH) | 102.09 |
| 7 (C) | 169.09 |
| 8 (CH) | 93.74 |
| 9 (C) | 111.96 |
| 10 (C) | 113.2 |
| 1' (C) | 118.74 |
| 2' (CH) | 111.36 |
| 3' (C) | 146.19 |
| 4' (C) | 144.47 |
| 5' (C) | 146.19 |
| 6' (CH) | 111.36 |
| 1'' (CH) | 102.46 |
| 2'' (CH) | 73.47 |
| 3'' (CH) | 77.47 |
| 4'' (CH) | 69.78 |
| 5'' (CH) | 76.77 |
| 6'' (CH2) | 61.04 |
