Spektraris NMR
2R,3R-trans-Aromadendrin-7-O-bD-glucopyranose-6'-(4''-hydroxy-2''-methylene butanoate
Common Name: 2R,3R-trans-Aromadendrin-7-O-bD-glucopyranose-6'-(4''-hydroxy-2''-methylene butanoate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H28O13/c1-11(6-7-27)25(35)36-10-17-19(30)21(32)23(34)26(39-17)37-14-8-15(29)18-16(9-14)38-24(22(33)20(18)31)12-2-4-13(28)5-3-12/h2-5,8-9,17,19,21-24,26-30,32-34H,1,6-7,10H2/t17-,19-,21-,22+,23-,24-,26-/m1/s1
InChIKey: InChIKey=VHLPHZHKMCRDIB-GGLRISDASA-N
Formula: C26H28O13
Molecular Weight: 548.493738
Exact Mass: 548.152991
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Binutu O.A., Cordell G.A. Phytochemistry (2001) 56, 827-30
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavanonols; 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 (CH) | 84 |
| 3 (CH) | 72.5 |
| 4 (C) | 199.7 |
| 5 (C) | 163.5 |
| 6 (CH) | 97.6 |
| 7 (C) | 166 |
| 8 (CH) | 96.1 |
| 9 (C) | 163.4 |
| 10 (C) | 103 |
| 1' (C) | 128.3 |
| 2' (CH) | 130.5 |
| 3' (CH) | 115.8 |
| 4' (C) | 158.7 |
| 5' (CH) | 115.8 |
| 6' (CH) | 130.5 |
| 1'' (CH) | 100.1 |
| 2'' (CH) | 73.7 |
| 3'' (CH) | 76.8 |
| 4'' (CH) | 70.7 |
| 5'' (CH) | 74.6 |
| 6'' (CH2) | 64.9 |
| 1''' (C) | 167.1 |
| 2''' (C) | 137.8 |
| 3''' (CH2) | 35.8 |
| 4''' (CH2) | 60.3 |
| 5''' (CH2) | 128 |
