Spektraris NMR
2β-D-Glucopyranosyl-7-cinnamoyloxy-1,3,6-trihydroxy-9H-xanthen-9-one
Common Name: 2β-D-Glucopyranosyl-7-cinnamoyloxy-1,3,6-trihydroxy-9H-xanthen-9-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H24O12/c29-11-19-24(34)26(36)27(37)28(40-19)21-15(31)10-18-22(25(21)35)23(33)13-8-17(14(30)9-16(13)38-18)39-20(32)7-6-12-4-2-1-3-5-12/h1-10,19,24,26-31,34-37H,11H2/b7-6+/t19-,24-,26+,27-,28+/m1/s1
InChIKey: InChIKey=GPTRIWGYBYBIKW-ORPSHABUSA-N
Formula: C28H24O12
Molecular Weight: 552.484042
Exact Mass: 552.126776
NMR Solvent: CD3OD
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) | 163.37 |
| 2 (C) | 108.17 |
| 3 (C) | 165.73 |
| 4 (CH) | 95.27 |
| 4a (C) | 158.72 |
| 5 (CH) | 104.67 |
| 6 (C) | 157.88 |
| 7 (C) | 138.27 |
| 8 (CH) | 120.16 |
| 8a (C) | 113.88 |
| 9 (C) | 181 |
| 9a (C) | 103.17 |
| 10a (C) | 156.67 |
| 1' (CH) | 75.3 |
| 2' (CH) | 72.65 |
| 3' (CH) | 80.16 |
| 4' (CH) | 71.84 |
| 5' (CH) | 82.59 |
| 6' (CH2) | 62.91 |
| 7a (C) | 166.57 |
| 7b (CH) | 117.6 |
| 7c (CH) | 148.37 |
| 7d (C) | 135.59 |
| 7e (CH) | 129.54 |
| 7f (CH) | 130.1 |
| 7g (CH) | 131.93 |
| 7h (CH) | 130.1 |
| 7i (CH) | 129.54 |
