Spektraris NMR
2,3,6,8-Tetraacetoxy-7-(2-O,3-O,4-O,6-O-tetraacetyl-beta-D-glucopyranosyl)-9H-xanthene-9-one
Common Name: 2,3,6,8-Tetraacetoxy-7-(2-O,3-O,4-O,6-O-tetraacetyl-beta-D-glucopyranosyl)-9H-xanthene-9-one
Synonyms: 2,3,6,8-Tetraacetoxy-7-(2-O,3-O,4-O,6-O-tetraacetyl-beta-D-glucopyranosyl)-9H-xanthene-9-one
CAS Registry Number:
InChI: InChI=1S/C35H34O19/c1-13(36)45-12-27-31(49-17(5)40)34(51-19(7)42)35(52-20(8)43)33(54-27)29-26(48-16(4)39)11-25-28(32(29)50-18(6)41)30(44)21-9-23(46-14(2)37)24(47-15(3)38)10-22(21)53-25/h9-11,27,31,33-35H,12H2,1-8H3/t27-,31-,33+,34+,35+/m1/s1
InChIKey: InChIKey=PFYJVEAVCZXGHE-MIMHQUMTSA-N
Formula: C35H34O19
Molecular Weight: 758.634436
Exact Mass: 758.169429
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) | 152.9 |
| 2 (C) | 118.35 |
| 3 (C) | 154.44 |
| 4 (CH) | 111.62 |
| 4a (C) | 156.44 |
| 5 (CH) | 112.88 |
| 6 (C) | 152.9 |
| 7 (C) | 139.44 |
| 8 (CH) | 120.75 |
| 8a (C) | 120.13 |
| 9 (C) | 173.55 |
| 9a (C) | 112.09 |
| 10a (C) | 147.72 |
| 1' (CH) | 72.47 |
| 2' (CH) | 69.67 |
| 3' (CH) | 74.52 |
| 4' (CH) | 68.35 |
| 5' (CH) | 76.61 |
| 6' (CH2) | 62.02 |
| 1a (C) | 170.38 |
| 1b (CH3) | 20.27 |
| 3a (C) | 169.76 |
| 3b (CH3) | 20.6 |
| 6a (C) | 168.43 |
| 6b (CH3) | 20.56 |
| 7a (C) | 167.51 |
| 7b (CH3) | 20.51 |
| 2'a (C) | 170.16 |
| 2'b (CH3) | 21.16 |
| 3'a (C) | 169.53 |
| 3'b (CH3) | 20.6 |
| 4'a (C) | 167.89 |
| 4'b (CH3) | 20.56 |
| 6'a (C) | 167.11 |
| 6'b (CH3) | 20.33 |
