Spektraris NMR
Alhagidin
Common Name: Alhagidin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H44O20/c1-11-23(39)26(42)29(45)32(49-11)48-10-21-25(41)28(44)31(54-33-30(46)27(43)24(40)20(9-35)52-33)34(53-21)50-13-6-15(37)22-16(38)8-18(51-19(22)7-13)12-3-4-17(47-2)14(36)5-12/h3-7,11,18,20-21,23-37,39-46H,8-10H2,1-2H3/t11-,18?,20+,21+,23-,24-,25+,26+,27-,28-,29+,30+,31+,32+,33-,34+/m0/s1
InChIKey: InChIKey=RYTOQEJVKIKIBZ-FNEWRYSYSA-N
Formula: C34H44O20
Molecular Weight: 772.702512
Exact Mass: 772.242594
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Singh, V.P., Yadav, B., Pandey, V.B. Phytochemistry (1999) 51, 587-90
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavanones; 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 |
|---|---|
| 2 (CH) | 78.49 |
| 3 (CH2) | 42.13 |
| 4 (C) | 197.17 |
| 5 (C) | 163.1 |
| 6 (CH) | 96.48 |
| 7 (C) | 165.17 |
| 8 (CH) | 95.65 |
| 9 (C) | 163.15 |
| 10 (C) | 103.42 |
| 1' (C) | 130.96 |
| 2' (CH) | 114.24 |
| 3' (C) | 148.61 |
| 4' (C) | 146.52 |
| 5' (CH) | 112.06 |
| 6' (CH) | 118.11 |
| 1'' (CH) | 99.51 |
| 2'' (CH) | 73.19 |
| 3'' (CH) | 76.35 |
| 4'' (CH) | 70.66 |
| 5'' (CH) | 75.6 |
| 6'' (CH2) | 66.18 |
| 1''' (CH) | 100.7 |
| 2''' (CH) | 70.37 |
| 3''' (CH) | 69.55 |
| 4''' (CH) | 72.17 |
| 5''' (CH) | 68.43 |
| 6''' (CH2) | 17.95 |
| 1'''' (CH) | 92.69 |
| 2'''' (CH) | 69.04 |
| 3'''' (CH) | 68.88 |
| 4'''' (CH) | 70.47 |
| 5'''' (CH) | 69.68 |
| 6'''' (CH3) | 60.72 |
| 4'a (CH3) | 55.76 |
