Spektraris NMR
MDp3G
Common Name: MDp3G
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H22O12/c1-31-21-12(26)2-8(3-13(21)27)20-15(6-10-11(25)4-9(24)5-14(10)32-20)33-22-19(30)18(29)17(28)16(7-23)34-22/h2-6,16-19,22-23,28-30H,7H2,1H3,(H3-,24,25,26,27)/p+1/t16-,17-,18+,19-,22-/m1/s1
InChIKey: InChIKey=JMQNGULBWFJHCJ-NFSXTHTRSA-O
Formula: C22H23O12
Molecular Weight: 479.411686
Exact Mass: 479.118951
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) | 162.03 |
| 3 (C) | 142.36 |
| 4 (CH) | 137.42 |
| 5 (C) | 157.06 |
| 6 (CH) | 101.96 |
| 7 (C) | 170.47 |
| 8 (CH) | 93.87 |
| 9 (C) | 113.67 |
| 10 (C) | 113.2 |
| 1' (C) | 123.33 |
| 2' (CH) | 110.85 |
| 3' (C) | 150.9 |
| 4' (C) | 144.54 |
| 5' (C) | 150.9 |
| 6' (CH) | 110.85 |
| 1'' (CH) | 102.29 |
| 2'' (CH) | 73.41 |
| 3'' (CH) | 77.47 |
| 4'' (CH) | 69.73 |
| 5'' (CH) | 76.71 |
| 6'' (CH2) | 61.01 |
| 4'a (CH3) | 59.79 |
