Spektraris NMR
Cuminoside A
Common Name: Cuminoside A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O8/c1-9-4-5-12-14(9)18-11(10(2)19(26)28-18)6-7-21(12,3)29-20-17(25)16(24)15(23)13(8-22)27-20/h4,12-18,20,22-25H,5-8H2,1-3H3/t12-,13+,14+,15+,16-,17+,18+,20-,21-/m0/s1
InChIKey: InChIKey=WHKZFBZPPKMCMS-OLWLSHKLSA-N
Formula: C21H30O8
Molecular Weight: 410.458916
Exact Mass: 410.194068
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) | 54.02 |
| 2 (CH2) | 33.12 |
| 3 (CH) | 126.07 |
| 4 (C) | 145.68 |
| 5 (CH) | 53.01 |
| 6 (CH) | 84.49 |
| 7 (C) | 164.95 |
| 8 (CH2) | 22.38 |
| 9 (CH2) | 32.01 |
| 10 (C) | 78.54 |
| 11 (C) | 121.18 |
| 12 (C) | 174.44 |
| 13 (CH3) | 8.27 |
| 14 (CH3) | 27.01 |
| 15 (CH3) | 18.37 |
| 1' (CH) | 98.17 |
| 2' (CH) | 75.18 |
| 3' (CH) | 79.12 |
| 4' (CH) | 71.83 |
| 5' (CH) | 78.21 |
| 6' (CH2) | 62.98 |
