Spektraris NMR
2β-D-Tetraacetoxyglucopyranosyl-1,6,7-triacetoxy-3-hydroxy-9H-xanthen-9-one
Common Name: 2β-D-Tetraacetoxyglucopyranosyl-1,6,7-triacetoxy-3-hydroxy-9H-xanthen-9-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C33H32O18/c1-12(34)43-11-25-29(46-15(4)37)32(48-17(6)39)33(49-18(7)40)31(51-25)26-20(41)9-24-27(30(26)47-16(5)38)28(42)19-8-22(44-13(2)35)23(45-14(3)36)10-21(19)50-24/h8-10,25,29,31-33,41H,11H2,1-7H3/t25-,29-,31+,32+,33+/m1/s1
InChIKey: InChIKey=QFWHZVCTMKTEAJ-TZWDLCQQSA-N
Formula: C33H32O18
Molecular Weight: 716.597677
Exact Mass: 716.158864
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) | 152.94 |
| 2 (C) | 108.16 |
| 3 (C) | 161.82 |
| 4 (CH) | 103.38 |
| 4a (C) | 158.7 |
| 5 (CH) | 112.47 |
| 6 (C) | 152.94 |
| 7 (C) | 139.11 |
| 8 (CH) | 120.66 |
| 8a (C) | 120.2 |
| 9 (C) | 173.45 |
| 9a (C) | 112.47 |
| 10a (C) | 147.28 |
| 1' (CH) | 73.72 |
| 2' (CH) | 69.68 |
| 3' (CH) | 74.58 |
| 4' (CH) | 67.98 |
| 5' (CH) | 76.49 |
| 6' (CH2) | 61.49 |
| 1a (C) | 170.51 |
| 1b (CH3) | 21.28 |
| 6a (C) | 170.16 |
| 6b (CH3) | 20.64 |
| 7a (C) | 169.6 |
| 7b (CH3) | 20.57 |
| 2'a (C) | 169.36 |
| 2'b (CH3) | 20.52 |
| 3'a (C) | 168.58 |
| 3'b (CH3) | 20.52 |
| 4'a (C) | 168.04 |
| 4'b (CH3) | 20.38 |
| 6'a (C) | 167.25 |
| 6'b (CH3) | 20.33 |
