Spektraris NMR
Delphinidin 3-sambubioside
Common Name: Delphinidin 3-sambubioside
Synonyms: Delphinidin 3-sambubioside
CAS Registry Number:
InChI: InChI=1S/C26H28O16/c27-6-17-20(35)21(36)24(42-25-22(37)19(34)14(32)7-38-25)26(41-17)40-16-5-10-11(29)3-9(28)4-15(10)39-23(16)8-1-12(30)18(33)13(31)2-8/h1-5,14,17,19-22,24-27,32,34-37H,6-7H2,(H4-,28,29,30,31,33)/p+1/t14-,17-,19+,20-,21+,22-,24-,25+,26-/m1/s1
InChIKey: InChIKey=TWYYVOVDSNRIJM-AFAGGVQESA-O
Formula: C26H29O16
Molecular Weight: 597.499894
Exact Mass: 597.14556
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Du, Q., Jerz, G., Winterhalter, P. J Chromatogr A (2004) 1045, 59-63
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) | 164.36 |
| 3 (C) | 145.51 |
| 4 (CH) | 135.69 |
| 5 (C) | 158.7 |
| 6 (CH) | 103.3 |
| 7 (C) | 170.11 |
| 8 (CH) | 94.96 |
| 9 (C) | 157.49 |
| 10 (C) | 113.08 |
| 1' (C) | 120.04 |
| 2' (CH) | 112.8 |
| 3' (C) | 147.57 |
| 4' (C) | 144.73 |
| 5' (C) | 147.57 |
| 6' (CH) | 112.8 |
| 1'' (CH) | 101.83 |
| 2'' (CH) | 82.58 |
| 3'' (CH) | 77.95 |
| 4'' (CH) | 70.74 |
| 5'' (CH) | 77.73 |
| 6'' (CH2) | 62.26 |
| 1''' (CH) | 106.08 |
| 2''' (CH) | 75.77 |
| 3''' (CH) | 78.71 |
| 4''' (CH) | 70.85 |
| 5''' (CH2) | 67.03 |
