Spektraris NMR
Patuletin-3-O-[b-D-glucopyranosyl-(1--> 3)-2-O-Ecaffeoyl-b-D-glucopyranosyl-(1--> 6)-b-D-glucopyrano
Common Name: Patuletin-3-O-[b-D-glucopyranosyl-(1--> 3)-2-O-Ecaffeoyl-b-D-glucopyranosyl-(1--> 6)-b-D-glucopyrano
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C43H48O26/c1-61-37-20(50)10-21-26(30(37)55)31(56)39(36(63-21)15-4-6-17(47)19(49)9-15)69-42-35(60)33(58)28(53)24(66-42)13-62-43-40(67-25(51)7-3-14-2-5-16(46)18(48)8-14)38(29(54)23(12-45)65-43)68-41-34(59)32(57)27(52)22(11-44)64-41/h2-10,22-24,27-29,32-35,38,40-50,52-55,57-60H,11-13H2,1H3/b7-3+/t22-,23-,24-,27-,28-,29-,32+,33+,34-,35-,38+,40-,41+,42+,43-/m1/s1
InChIKey: InChIKey=JEJIOWVHBJKOAM-JJXVLYISSA-N
Formula: C43H48O26
Molecular Weight: 980.827328
Exact Mass: 980.243382
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Fang, J.J., Ye, G., Chen, W.L., Zhao, W.M. Phytochemistry (2008) 69, 1279-86
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavones; 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 (C) | 156.7 |
| 3 (C) | 132.8 |
| 4 (C) | 177.9 |
| 5 (C) | 152.4 |
| 6 (C) | 131.6 |
| 7 (C) | 157.4 |
| 8 (CH) | 94.2 |
| 9 (C) | 151.6 |
| 10 (C) | 104.6 |
| 1' (C) | 121.1 |
| 2' (CH) | 116.2 |
| 3' (C) | 144.9 |
| 4' (C) | 148.6 |
| 5' (CH) | 115.4 |
| 6' (CH) | 121.7 |
| 1'' (CH) | 100.3 |
| 2'' (CH) | 73.6 |
| 3'' (CH) | 76.2 |
| 4'' (CH) | 69.8 |
| 5'' (CH) | 78.8 |
| 6'' (CH2) | 65.9 |
| 1''' (CH) | 99.4 |
| 2''' (CH) | 72.2 |
| 3''' (CH) | 86.3 |
| 4''' (CH) | 67.8 |
| 5''' (CH) | 75.4 |
| 6''' (CH2) | 59.5 |
| 1'''' (CH) | 103.4 |
| 2'''' (CH) | 73.4 |
| 3'''' (CH) | 75.8 |
| 4'''' (CH) | 70 |
| 5'''' (CH) | 76.4 |
| 6'''' (CH2) | 61.1 |
| 1''''' (C) | 125.9 |
| 2''''' (CH) | 115.3 |
| 3''''' (C) | 145.6 |
| 4''''' (C) | 148.3 |
| 5''''' (CH) | 116 |
| 6''''' (CH) | 121.3 |
| 7''''' (CH) | 145.4 |
| 8''''' (CH) | 113.9 |
| 9''''' (C) | 166.1 |
| 6a (CH3) | 60.4 |
