Spektraris NMR
2β-D-Tetraacetoxyglucopyranosyl-1-hydroxy-3,6,7-trimethoxy-9H-xanthen-9-one
Common Name: 2β-D-Tetraacetoxyglucopyranosyl-1-hydroxy-3,6,7-trimethoxy-9H-xanthen-9-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H32O15/c1-12(31)40-11-22-27(41-13(2)32)29(42-14(3)33)30(43-15(4)34)28(45-22)24-20(39-7)10-21-23(26(24)36)25(35)16-8-18(37-5)19(38-6)9-17(16)44-21/h8-10,22,27-30,36H,11H2,1-7H3/t22-,27-,28+,29+,30+/m1/s1
InChIKey: InChIKey=STGFDWZNIHOQQT-FGBPBYSHSA-N
Formula: C30H32O15
Molecular Weight: 632.567255
Exact Mass: 632.17412
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Faizi, S., Zikr-Ur-Rehman, S., Ali, M., Naz, A. Magn Reson Chem (2006) 44, 838-44
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) | 161.56 |
| 2 (C) | 105.23 |
| 3 (C) | 164.91 |
| 4 (CH) | 90.7 |
| 4a (C) | 158.04 |
| 5 (CH) | 99.47 |
| 6 (C) | 155.8 |
| 7 (C) | 147 |
| 8 (CH) | 104.55 |
| 8a (C) | 112.02 |
| 9 (C) | 179.81 |
| 9a (C) | 102.01 |
| 10a (C) | 152.39 |
| 1' (CH) | 71.09 |
| 2' (CH) | 69.48 |
| 3' (CH) | 74.95 |
| 4' (CH) | 70.05 |
| 5' (CH) | 76.18 |
| 6' (CH2) | 62.58 |
| 3a (CH3) | 56.55 |
| 6a (CH3) | 56.41 |
| 7a (CH3) | 56.3 |
| 2'a (C) | 169.81 |
| 2'b (CH3) | 20.8 |
| 3'a (C) | 169.59 |
| 3'b (CH3) | 20.7 |
| 4'a (C) | 169.42 |
| 4'b (CH3) | 20.5 |
| 6'a (C) | 169.42 |
| 6'b (CH3) | 20.39 |
