Spektraris NMR
Hebeoside
Common Name: Hebeoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H44O19/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/h2-7,10-11,14,21-22,24-40,42-46H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25-,26+,27+,28+,29+,30-,31+,32-,33-,34+/m0/s1
InChIKey: InChIKey=HZUURLOSYMEMET-CKEJPBJPSA-N
Formula: C34H44O19
Molecular Weight: 756.703107
Exact Mass: 756.247679
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Taskova, R.M., Gotfredsen, C.H., Jensen, S.R. Phytochemistry (2006) 67, 286-301
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) | 131.5 |
| 2 (CH) | 117.2 |
| 3 (C) | 146 |
| 4 (C) | 144.6 |
| 5 (CH) | 116.3 |
| 6 (CH) | 121.3 |
| 7 (CH2) | 36.6 |
| 8 (CH2) | 72.1 |
| 1' (CH) | 103 |
| 2' (CH) | 82.5 |
| 3' (CH) | 81.2 |
| 4' (CH) | 70.8 |
| 5' (CH) | 75.8 |
| 6' (CH2) | 62.4 |
| 1'' (CH) | 104.5 |
| 2'' (CH) | 73.5 |
| 3'' (CH) | 78 |
| 4'' (CH) | 71.1 |
| 5'' (CH2) | 67 |
| 1''' (CH) | 103.1 |
| 2''' (CH) | 72.1 |
| 3''' (CH) | 72.1 |
| 4''' (CH) | 73.8 |
| 5''' (CH) | 70.6 |
| 6''' (CH3) | 18.4 |
| 4'a (C) | 168.3 |
| 4'b (CH) | 114.8 |
| 4'c (CH) | 147.9 |
| 4'd (C) | 127.6 |
| 4'e (CH) | 115.2 |
| 4'f (C) | 146.8 |
| 4'g (C) | 149.8 |
| 4'h (CH) | 116.5 |
| 4'i (CH) | 123.2 |
