Spektraris NMR
2-Methoxy-4-(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyloxy)phenol
Common Name: 2-Methoxy-4-(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyloxy)phenol
Synonyms: 2-Methoxy-4-(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyloxy)phenol
CAS Registry Number:
InChI: InChI=1S/C18H26O12/c1-26-10-4-7(2-3-8(10)19)29-18-16(25)14(23)13(22)11(30-18)6-28-17-15(24)12(21)9(20)5-27-17/h2-4,9,11-25H,5-6H2,1H3/t9-,11-,12+,13-,14+,15-,16-,17+,18-/m1/s1
InChIKey: InChIKey=GSZHLMQLGPEBEJ-ZCLRWAROSA-N
Formula: C18H26O12
Molecular Weight: 434.392565
Exact Mass: 434.142426
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Kitajima, J., Kamoshita, A., Ishikawa, T., Takano, A., Fukuda, T., Isoda, S., Ida, Y. Chem Pharm Bull (2003) 51, 152-7
Species:
Notes: Family : Aromatics, Type : Benzenes; 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) | 152.2 |
| 2 (CH) | 103.72 |
| 3 (C) | 148.98 |
| 4 (C) | 143.5 |
| 5 (CH) | 116.55 |
| 6 (CH) | 110 |
| 1' (CH) | 104.13 |
| 2' (CH) | 75.01 |
| 3' (CH) | 78.27 |
| 4' (CH) | 71.47 |
| 5' (CH) | 78.52 |
| 6' (CH2) | 70.2 |
| 1'' (CH) | 106.1 |
| 2'' (CH) | 75 |
| 3'' (CH) | 77.43 |
| 4'' (CH) | 71.18 |
| 5'' (CH2) | 67.17 |
| 3a (CH3) | 55.89 |
