Spektraris NMR
Rumexoside
Common Name: Rumexoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H22O10/c1-7-3-9-4-10(19(27)28)5-11(14(9)16(24)13(7)8(2)22)29-20-18(26)17(25)15(23)12(6-21)30-20/h3-5,12,15,17-18,20-21,23-26H,6H2,1-2H3,(H,27,28)/t12-,15-,17+,18-,20-/m1/s1
InChIKey: InChIKey=GPYNRGVKMWCYIE-DIKOWXHZSA-N
Formula: C20H22O10
Molecular Weight: 422.383464
Exact Mass: 422.121297
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Demirezer O., Kuruuzum A., Bergere I., Schiewe H.J., Zeeck A. Phytochemistry (2001) 56, 399-402
Species:
Notes: Family : Aromatics, Type : Naphthalenes, Group : Naphthalenes; 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) | 153.02 |
| 2 (C) | 125.18 |
| 3 (C) | 133.55 |
| 4 (CH) | 118.17 |
| 5 (CH) | 127.34 |
| 6 (C) | 127.8 |
| 7 (CH) | 122.59 |
| 8 (C) | 154.59 |
| 9 (C) | 111.09 |
| 10 (C) | 136.3 |
| 1' (CH) | 103.02 |
| 2' (CH) | 73.45 |
| 3' (CH) | 74.43 |
| 4' (CH) | 69.97 |
| 5' (CH) | 76.03 |
| 6' (CH2) | 63.26 |
| 2a (C) | 205.16 |
| 2b (CH3) | 31.65 |
| 3a (CH3) | 19.63 |
| 6a (C) | 170.5 |
