Spektraris NMR
Cuminoside B
Common Name: Cuminoside B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O9/c1-8-4-5-12(23)21(3)13(6-10-9(2)19(27)30-18(10)14(8)21)29-20-17(26)16(25)15(24)11(7-22)28-20/h4,9-18,20,22-26H,5-7H2,1-3H3/t9-,10+,11-,12-,13+,14+,15-,16+,17-,18-,20+,21+/m1/s1
InChIKey: InChIKey=DJFCYKZFNVNTAZ-MSBWIKLUSA-N
Formula: C21H32O9
Molecular Weight: 428.474202
Exact Mass: 428.204633
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Takayanagi, T., Ishikawa, T., Kitajima, J. Phytochemistry (2003) 63, 479-84
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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 (CH) | 70.07 |
| 2 (CH2) | 31.63 |
| 3 (CH) | 120.66 |
| 4 (C) | 133.38 |
| 5 (CH) | 40.6 |
| 6 (CH) | 79.5 |
| 7 (CH) | 35.54 |
| 8 (CH2) | 29.46 |
| 9 (CH) | 84.43 |
| 10 (C) | 41.44 |
| 11 (CH) | 37.81 |
| 12 (C) | 178.83 |
| 13 (CH3) | 10.27 |
| 14 (CH3) | 22.14 |
| 15 (CH3) | 22.48 |
| 1' (CH) | 105.5 |
| 2' (CH) | 75.3 |
| 3' (CH) | 78.83 |
| 4' (CH) | 71.69 |
| 5' (CH) | 78.82 |
| 6' (CH2) | 62.79 |
