Spektraris NMR
Diellagic acid rhamnosyl (1-->4) glucopyranoside
Common Name: Diellagic acid rhamnosyl (1-->4) glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C40H30O24/c1-7-30(27(49)29(51)39(57-7)58-15-5-11-20-18-9(36(53)63-34(20)25(15)47)3-13(42)22(44)32(18)61-38(11)55)64-40-28(50)26(48)23(45)16(59-40)6-56-14-4-10-19-17-8(35(52)62-33(19)24(14)46)2-12(41)21(43)31(17)60-37(10)54/h2-5,7,16,23,26-30,39-51H,6H2,1H3/t7-,16+,23+,26-,27-,28+,29+,30-,39-,40-/m0/s1
InChIKey: InChIKey=FGPADURWDAOPIH-FDACYMLBSA-N
Formula: C40H30O24
Molecular Weight: 894.653377
Exact Mass: 894.112702
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - El-Toumy S.A., Rauwald H.W. Phytochemistry (2002) 61, 971-4
Species:
Notes: Family : Aromatics, Type : Phenols, Group : Ellagitannins; 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) | 108.81 |
| 2 (C) | 136.28 |
| 3 (C) | 142.19 |
| 4 (C) | 149.47 |
| 5 (CH) | 112.65 |
| 6 (C) | 115.76 |
| 7 (C) | 159.78 |
| 1' (C) | 106.58 |
| 2' (C) | 136.28 |
| 3' (C) | 140.75 |
| 4' (C) | 147.7 |
| 5' (CH) | 112.13 |
| 6' (C) | 115.22 |
| 7' (C) | 159.52 |
| 1'' (C) | 108.81 |
| 2'' (C) | 136.28 |
| 3'' (C) | 142.19 |
| 4'' (C) | 148.9 |
| 5'' (CH) | 112.65 |
| 6'' (C) | 115.76 |
| 7'' (C) | 159.61 |
| 1''' (C) | 106.58 |
| 2''' (C) | 136.28 |
| 3''' (C) | 140.75 |
| 4''' (C) | 146.57 |
| 5''' (CH) | 112.13 |
| 6''' (C) | 115.22 |
| 7''' (C) | 159.44 |
| 1'''' (CH) | 99.95 |
| 2'''' (CH) | 69.23 |
| 3'''' (CH) | 70.17 |
| 4'''' (CH) | 73.12 |
| 5'''' (CH) | 69.93 |
| 6'''' (CH3) | 17.85 |
| 1''''' (CH) | 104.71 |
| 2''''' (CH) | 71.85 |
| 3''''' (CH) | 76.21 |
| 4''''' (CH) | 69.73 |
| 5''''' (CH) | 76.21 |
| 6''''' (CH2) | 66.04 |
