3,3′,4′-O-trimethylellagic acid 4-O-β-Dxyloside

3,3′,4′-O-trimethylellagic acid 4-O-β-Dxyloside

Common Name: 3,3′,4′-O-trimethylellagic acid 4-O-β-Dxyloside

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C22H20O12/c1-28-10-4-7-12-13-8(21(27)33-18(12)16(10)29-2)5-11(17(30-3)19(13)34-20(7)26)32-22-15(25)14(24)9(23)6-31-22/h4-5,9,14-15,22-25H,6H2,1-3H3/t9-,14+,15-,22+/m1/s1

InChIKey: InChIKey=QXQRDKINPINYFD-SCBIHCBJSA-N

Formula: C22H20O12

Molecular Weight: 476.387864

Exact Mass: 476.095476

NMR Solvent: DMSO-d6

MHz:

Calibration:

NMR references: 13C - Zhang, F., Fu, T.J., Peng, S.L., Liu, Z.R., Ding, L.S. J Integr Plant Biol (2005) 47, 251

Species:

Notes: Family : Aromatics, Type : Biphenyls; 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) 113.7
2 (C) 141.9
3 (C) 141.2
4 (C) 154.4
5 (CH) 112.1
6 (C) 112.6
7 (C) 158.4
1' (C) 112.8
2' (C) 141.2
3' (C) 141
4' (C) 151.7
5' (CH) 107.6
6' (C) 112.3
7' (C) 158.3
1'' (CH) 101.8
2'' (CH) 73.1
3'' (CH) 76.2
4'' (CH) 69.3
5'' (CH2) 65.9
3a (CH3) 61.8
3'a (CH3) 61.4
4'a (CH3) 56.6