Spektraris NMR
3,4,5-Trimethoxycinnamoyl 3-O-alpha-L-arabinofuranosyl-6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
Common Name: 3,4,5-Trimethoxycinnamoyl 3-O-alpha-L-arabinofuranosyl-6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
Synonyms: 3,4,5-Trimethoxycinnamoyl 3-O-alpha-L-arabinofuranosyl-6-O-beta-D-glucopyranosyl-beta-D-glucopyranoside
CAS Registry Number:
InChI: InChI=1S/C29H42O19/c1-40-12-6-11(7-13(41-2)25(12)42-3)4-5-17(32)47-29-24(39)26(48-28-22(37)19(34)15(9-31)45-28)20(35)16(46-29)10-43-27-23(38)21(36)18(33)14(8-30)44-27/h4-7,14-16,18-24,26-31,33-39H,8-10H2,1-3H3/b5-4+/t14-,15+,16-,18-,19+,20-,21+,22-,23-,24-,26+,27-,28+,29+/m1/s1
InChIKey: InChIKey=PQBHLKVDBLIZKB-ZNMIAHGESA-N
Formula: C29H42O19
Molecular Weight: 694.633546
Exact Mass: 694.232029
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Hosny, M., Rosazza, J.P. J Nat Prod (1999) 62, 853-8
Species:
Notes: Family : Aromatics, Type : Phenyl-alkanoids, Group : Phenylpropanoids; 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 |
|---|---|
| 1 (C) | 129.92 |
| 2 (CH) | 107.48 |
| 3 (C) | 157.45 |
| 4 (C) | 141.57 |
| 5 (C) | 155.15 |
| 6 (CH) | 107.48 |
| 7 (CH) | 147.1 |
| 8 (CH) | 117 |
| 9 (C) | 168.73 |
| 1' (CH) | 100.65 |
| 2' (CH) | 75.81 |
| 3' (CH) | 81.72 |
| 4' (CH) | 68.7 |
| 5' (CH) | 75.19 |
| 6' (CH2) | 67.34 |
| 1'' (CH) | 106.7 |
| 2'' (CH) | 82.61 |
| 3'' (CH) | 77.28 |
| 4'' (CH) | 83.23 |
| 5'' (CH2) | 63.5 |
| 1''' (CH) | 102.95 |
| 2''' (CH) | 75.2 |
| 3''' (CH) | 78.1 |
| 4''' (CH) | 71.28 |
| 5''' (CH) | 78.32 |
| 6''' (CH2) | 62.33 |
| 3a (CH3) | 56.4 |
| 4a (CH3) | 57.1 |
| 5a (CH3) | 57.55 |
