Spektraris NMR
Cyanidin 3-sambubioside
Common Name: Cyanidin 3-sambubioside
Synonyms: Cyanidin 3-sambubioside
CAS Registry Number:
InChI: InChI=1S/C26H28O15/c27-7-18-20(34)21(35)24(41-25-22(36)19(33)15(32)8-37-25)26(40-18)39-17-6-11-13(30)4-10(28)5-16(11)38-23(17)9-1-2-12(29)14(31)3-9/h1-6,15,18-22,24-27,32-36H,7-8H2,(H3-,28,29,30,31)/p+1/t15-,18-,19+,20-,21+,22-,24-,25+,26-/m1/s1
InChIKey: InChIKey=ZPPQIOUITZSYAO-AOBOYTTNSA-O
Formula: C26H29O15
Molecular Weight: 581.500489
Exact Mass: 581.150645
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) | 164.43 |
| 3 (C) | 145.34 |
| 4 (CH) | 136.41 |
| 5 (C) | 159.28 |
| 6 (CH) | 103.4 |
| 7 (C) | 170.39 |
| 8 (CH) | 95.1 |
| 9 (C) | 157.66 |
| 10 (C) | 113.2 |
| 1' (C) | 121.71 |
| 2' (CH) | 118.2 |
| 3' (C) | 147.49 |
| 4' (C) | 155.8 |
| 5' (CH) | 117.4 |
| 6' (CH) | 128.6 |
| 1'' (CH) | 101.71 |
| 2'' (CH) | 81.86 |
| 3'' (CH) | 78.2 |
| 4'' (CH) | 70.99 |
| 5'' (CH) | 77.87 |
| 6'' (CH2) | 62.33 |
| 1''' (CH) | 105.78 |
| 2''' (CH) | 75.72 |
| 3''' (CH) | 78.78 |
| 4''' (CH) | 70.84 |
| 5''' (CH2) | 67.19 |
