Spektraris NMR
Benzoylmangiferin
Common Name: Benzoylmangiferin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H22O12/c27-9-17-21(32)23(34)25(38-26(35)10-4-2-1-3-5-10)24(37-17)18-14(30)8-16-19(22(18)33)20(31)11-6-12(28)13(29)7-15(11)36-16/h1-8,17,21,23-25,27-30,32-34H,9H2/t17-,21-,23+,24+,25-/m1/s1
InChIKey: InChIKey=AVPLATUJXHPZBU-FUFTYFEXSA-N
Formula: C26H22O12
Molecular Weight: 526.446689
Exact Mass: 526.111126
NMR Solvent: D+W
MHz:
Calibration:
NMR references: 13C - Li, W.K., Chan, C.L., Leung, H.W., Yeung, H.W., Xiao, P.G. Phytochemistry (1999) 51, 953-8
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) | 161.7 |
| 2 (C) | 105.7 |
| 3 (C) | 163.7 |
| 4 (CH) | 93.3 |
| 4a (C) | 156.5 |
| 5 (CH) | 102.6 |
| 6 (C) | 154.3 |
| 7 (C) | 143.8 |
| 8 (CH) | 108.1 |
| 8a (C) | 111.7 |
| 9 (C) | 179.1 |
| 9a (C) | 101.1 |
| 10a (C) | 150.9 |
| 1' (CH) | 70.8 |
| 2' (CH) | 73.1 |
| 3' (CH) | 76.4 |
| 4' (CH) | 70.7 |
| 5' (CH) | 81.7 |
| 6' (CH2) | 61.5 |
| 1'' (C) | 164.7 |
| 2'' (C) | 130.3 |
| 3'' (CH) | 129 |
| 4'' (CH) | 128.4 |
| 5'' (CH) | 132.8 |
| 6'' (CH) | 128.4 |
| 7'' (CH) | 129 |
