Spektraris NMR
Tricin-4'-O-(threo-B-guaiacylglyceryl)ether; Salcolin A
Common Name: Tricin-4'-O-(threo-B-guaiacylglyceryl)ether; Salcolin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H26O11/c1-34-20-6-13(4-5-16(20)30)26(33)24(12-28)38-27-22(35-2)7-14(8-23(27)36-3)19-11-18(32)25-17(31)9-15(29)10-21(25)37-19/h4-11,24,26,28-31,33H,12H2,1-3H3/t24-,26+/m0/s1
InChIKey: InChIKey=WXNJNHFYIWEHIL-AZGAKELHSA-N
Formula: C27H26O11
Molecular Weight: 526.489783
Exact Mass: 526.147512
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Wenzig, E., Kunert, O., Ferreira, D., Schmid, M., Schuhly, W., Bauer, R., Hiermann, A. J Nat Prod (2005) 68, 289-92
Species:
Notes: Family : Flavonoids, Type : Flavolignans; 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) | 164.2 |
| 3 (CH) | 106 |
| 4 (C) | 182.8 |
| 5 (C) | 163.7 |
| 6 (CH) | 100.4 |
| 7 (C) | 166.7 |
| 8 (CH) | 95.3 |
| 9 (C) | 158.9 |
| 10 (C) | 105.2 |
| 1' (C) | 127.3 |
| 2' (CH) | 105.3 |
| 3' (C) | 154.1 |
| 4' (C) | 141.8 |
| 5' (C) | 154.1 |
| 6' (CH) | 105.3 |
| 1'' (CH2) | 61.9 |
| 2'' (CH) | 89.1 |
| 3'' (CH) | 74.1 |
| 4'' (C) | 134.2 |
| 5'' (CH) | 112.1 |
| 6'' (C) | 148.6 |
| 7'' (C) | 147.9 |
| 8'' (CH) | 116.1 |
| 9'' (CH) | 120.5 |
| 3'a (CH3) | 56.6 |
| 5'a (CH3) | 56.6 |
| 6''a (CH3) | 56 |
