Spektraris NMR
3, 3'-di-O-Methylellagic acid 4-(5''-acetyl)-a-larabinofuranoside
Common Name: 3, 3'-di-O-Methylellagic acid 4-(5''-acetyl)-a-larabinofuranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H24O13/c1-7(24)32-6-12-15(26)16(27)23(34-12)33-11-5-9-14-13-8(21(28)36-20(14)18(11)31-3)4-10(25)17(30-2)19(13)35-22(9)29/h4-5,10,12-13,15-17,19,23,25-27H,6H2,1-3H3/t10?,12-,13?,15-,16+,17?,19?,23+/m0/s1
InChIKey: InChIKey=QAUDAUPSHSMZLF-SKYCBZDMSA-N
Formula: C23H24O13
Molecular Weight: 508.429768
Exact Mass: 508.121691
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Tanaka, N., Tanaka, T., Fujioka, T., Fujii, H., Mihashi, K., Shimomura, K., Ishimaru, K. Phytochemistry (2001) 57, 1287-91
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Iridoids; 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 (CH) | 111.6 |
| 2 (CH) | 140.8 |
| 3 (CH) | 142.1 |
| 4 (CH) | 150.3 |
| 5 (CH) | 112.1 |
| 6 (C) | 114.4 |
| 7 (C) | 158.5 |
| 1' (CH) | 110.4 |
| 2' (C) | 141.6 |
| 3' (C) | 140.4 |
| 4' (C) | 153.8 |
| 5' (C) | 111.9 |
| 6' (C) | 112.7 |
| 7' (C) | 158.4 |
| 1'' (CH) | 107.6 |
| 2'' (CH) | 81.7 |
| 3'' (CH) | 77 |
| 4'' (CH) | 82.7 |
| 5'' (CH2) | 63.6 |
| 3a (CH3) | 61.5 |
| 3'b (CH3) | 60.8 |
| 5''a (C) | 170.3 |
| 5''b (CH3) | 20.6 |
