Spektraris NMR
1-O-Gentiobiosyl-3,7-dimethoxy-8-hydroxyxanthone
Common Name: 1-O-Gentiobiosyl-3,7-dimethoxy-8-hydroxyxanthone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H32O16/c1-37-9-5-12-16(21(32)17-10(40-12)3-4-11(38-2)18(17)29)13(6-9)41-27-25(36)23(34)20(31)15(43-27)8-39-26-24(35)22(33)19(30)14(7-28)42-26/h3-6,14-15,19-20,22-31,33-36H,7-8H2,1-2H3/t14-,15-,19-,20-,22+,23+,24-,25-,26-,27-/m1/s1
InChIKey: InChIKey=MMZOSEKWRIIWQX-ONMHTNRHSA-N
Formula: C27H32O16
Molecular Weight: 612.534452
Exact Mass: 612.169035
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Menkovic, N., Savikin-Fodulovic, K., Bulatovic, V., Aljancic, I., Juranic, N., Macura, S., Vajs, V., Milosavljevic, S. Phytochemistry (2002) 61, 415-20
Species:
Notes: Family : Aromatics, Type : Xanthones; 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) | 159.5 |
| 2 (CH) | 99.1 |
| 3 (C) | 166 |
| 4 (CH) | 94.9 |
| 5 (CH) | 104.9 |
| 6 (CH) | 120.6 |
| 7 (C) | 142.7 |
| 8 (C) | 150.5 |
| 9 (C) | 181.5 |
| 1' (CH) | 100.8 |
| 2' (CH) | 73.5 |
| 3' (CH) | 76.6 |
| 4' (CH) | 69.8 |
| 5' (CH) | 75.8 |
| 6' (CH2) | 69 |
| 1'' (CH) | 103.9 |
| 2'' (CH) | 73.7 |
| 3'' (CH) | 76.9 |
| 4'' (CH) | 70.3 |
| 5'' (CH) | 77.1 |
| 6'' (CH2) | 61.2 |
| 3a (CH3) | 56.7 |
| 4a (C) | 159.3 |
| 7a (CH3) | 56.5 |
| 8a (C) | 108.8 |
| 9a (C) | 104.9 |
| 10a (C) | 148.4 |
