Spektraris NMR
Persicoside
Common Name: Persicoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C35H48O21/c36-11-20-24(44)26(46)28(48)33(51-20)55-31-30(54-23(43)6-3-14-1-4-16(39)18(41)9-14)22(13-38)53-35(50-8-7-15-2-5-17(40)19(42)10-15)32(31)56-34-29(49)27(47)25(45)21(12-37)52-34/h1-6,9-10,16,18,20-22,24-42,44-49H,7-8,11-13H2/b6-3+/t16?,18?,20-,21-,22-,24-,25-,26+,27+,28-,29-,30-,31+,32-,33+,34+,35-/m1/s1
InChIKey: InChIKey=UHKOCQWFRVAEAP-LBBYRIGFSA-N
Formula: C35H48O21
Molecular Weight: 804.744416
Exact Mass: 804.268809
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Ronsted, N., Bello, M.A., Jensen, S.R. Phytochemistry (2003) 64, 529-33
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) | 127.7 |
| 2 (CH) | 115.3 |
| 3 (CH) | 146.9 |
| 4 (CH) | 149.7 |
| 5 (CH) | 116.6 |
| 6 (CH) | 123.1 |
| 7 (CH) | 115.5 |
| 8 (CH) | 147.2 |
| 9 (C) | 168.6 |
| 1' (CH) | 103.3 |
| 2' (CH) | 81.5 |
| 3' (CH) | 82.1 |
| 4' (CH) | 70.6 |
| 5' (CH) | 75.8 |
| 6' (CH2) | 62.4 |
| 1'' (CH) | 104.1 |
| 2'' (CH) | 75.9 |
| 3'' (CH) | 77.8 |
| 4'' (CH) | 71.6 |
| 5'' (CH) | 78.7 |
| 6'' (CH2) | 63.2 |
| 1''' (CH) | 104.2 |
| 2''' (CH) | 75.5 |
| 3''' (CH) | 78 |
| 4''' (CH) | 70.6 |
| 5''' (CH) | 78.1 |
| 6''' (CH2) | 62.8 |
| 1a (CH2) | 72.3 |
| 1b (CH2) | 36.6 |
| 1c (C) | 131.7 |
| 1d (CH) | 117.4 |
| 1e (C) | 146.2 |
| 1f (C) | 144.7 |
| 1g (CH) | 116.4 |
| 1h (CH) | 121.4 |
