Spektraris NMR
Ehrenoside
Common Name: Ehrenoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H46O19/c1-14-24(42)26(44)28(46)33(49-14)52-30-29(51-23(41)7-4-15-2-5-17(36)19(38)10-15)22(12-35)50-34(47-9-8-16-3-6-18(37)20(39)11-16)31(30)53-32-27(45)25(43)21(40)13-48-32/h2-7,10-11,14,17,19,21-22,24-40,42-46H,8-9,12-13H2,1H3/b7-4+/t14-,17?,19?,21-,22-,24-,25-,26+,27+,28+,29-,30+,31-,32+,33-,34-/m1/s1
InChIKey: InChIKey=ZKDYFQCQVIAJCK-ABIJLXEGSA-N
Formula: C34H46O19
Molecular Weight: 758.718989
Exact Mass: 758.263329
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) | 149.8 |
| 5 (CH) | 116.9 |
| 6 (CH) | 123.2 |
| 7 (CH) | 114.9 |
| 8 (CH) | 148 |
| 9 (C) | 168.4 |
| 1' (CH) | 103.1 |
| 2' (CH) | 82.7 |
| 3' (CH) | 81.4 |
| 4' (CH) | 70.9 |
| 5' (CH) | 75.9 |
| 6' (CH2) | 62.5 |
| 1'' (CH) | 104.2 |
| 2'' (CH) | 73.1 |
| 3'' (CH) | 74.6 |
| 4'' (CH) | 69.6 |
| 5'' (CH2) | 66.9 |
| 1''' (CH) | 103.3 |
| 2''' (CH) | 72.2 |
| 3''' (CH) | 72 |
| 4''' (CH) | 73.9 |
| 5''' (CH) | 70.7 |
| 6''' (CH3) | 18.5 |
| 1a (CH2) | 72.2 |
| 1b (CH2) | 36.8 |
| 1c (C) | 131.9 |
| 1d (CH) | 117.5 |
| 1e (C) | 146.1 |
| 1f (C) | 144.8 |
| 1g (CH) | 116.4 |
| 1h (CH) | 121.5 |
