Spektraris NMR
Rebaudioside F
Common Name: Rebaudioside F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C43H68O22/c1-17-11-42-9-5-22-40(2,7-4-8-41(22,3)39(57)64-37-32(56)29(53)26(50)20(13-45)60-37)23(42)6-10-43(17,16-42)65-38-34(63-35-30(54)24(48)18(47)15-58-35)33(27(51)21(14-46)61-38)62-36-31(55)28(52)25(49)19(12-44)59-36/h18-38,44-56H,1,4-16H2,2-3H3/t18-,19-,20-,21-,22+,23+,24+,25-,26-,27-,28+,29+,30-,31-,32-,33+,34-,35+,36+,37+,38+,40-,41-,42-,43+/m1/s1
InChIKey: InChIKey=HYLAUKAHEAUVFE-AVBZULRRSA-N
Formula: C43H68O22
Molecular Weight: 936.988523
Exact Mass: 936.420224
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Starratt, A.N., Kirby, C.W., Pocs, R., Brandle, J.E. Phytochemistry (2002) 59, 367-70
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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 (CH2) | 40.8 |
| 2 (CH2) | 19.4 |
| 3 (CH2) | 38.4 |
| 4 (C) | 44 |
| 5 (CH) | 57.3 |
| 6 (CH2) | 22.1 |
| 7 (CH2) | 41.7 |
| 8 (C) | 42.5 |
| 9 (CH) | 54 |
| 10 (C) | 39.8 |
| 11 (CH2) | 20.6 |
| 12 (CH2) | 37 |
| 13 (C) | 86.4 |
| 14 (CH2) | 44.3 |
| 15 (CH2) | 47.7 |
| 16 (C) | 154.2 |
| 17 (CH2) | 104.6 |
| 18 (CH3) | 28.3 |
| 19 (C) | 177 |
| 20 (CH3) | 15.5 |
| 1' (CH) | 97.9 |
| 2' (CH) | 80.7 |
| 3' (CH) | 88.3 |
| 4' (CH) | 70.6 |
| 5' (CH) | 77.3 |
| 6' (CH2) | 62.6 |
| 1'' (CH) | 104.8 |
| 2'' (CH) | 75.2 |
| 3'' (CH) | 79 |
| 4'' (CH) | 71.5 |
| 5'' (CH) | 78.6 |
| 6'' (CH2) | 62.3 |
| 1''' (CH) | 105.4 |
| 2''' (CH) | 75.9 |
| 3''' (CH) | 78.6 |
| 4''' (CH) | 71.2 |
| 5''' (CH2) | 67.5 |
| 1'''' (CH) | 95.8 |
| 2'''' (CH) | 73.9 |
| 3'''' (CH) | 79.2 |
| 4'''' (CH) | 71 |
| 5'''' (CH) | 78.5 |
| 6'''' (CH2) | 62.1 |
