2,4,6-Trihydroxyacetophenone-2-O-(20), 3-C-(10)10-desoxy-b-D-fructofuranoside-5-C-D-glucopyranoside

2,4,6-Trihydroxyacetophenone-2-O-(20), 3-C-(10)10-desoxy-b-D-fructofuranoside-5-C-D-glucopyranoside

Common Name: 2,4,6-Trihydroxyacetophenone-2-O-(20), 3-C-(10)10-desoxy-b-D-fructofuranoside-5-C-D-glucopyranoside

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C20H26O13/c1-5(23)9-14(27)10(18-16(29)15(28)12(25)7(3-21)31-18)11(24)6-2-20(33-17(6)9)19(30)13(26)8(4-22)32-20/h7-8,12-13,15-16,18-19,21-22,24-30H,2-4H2,1H3/t7-,8-,12-,13-,15+,16-,18+,19+,20-/m1/s1

InChIKey: InChIKey=YNNQHGRWAYBHNJ-OMYAOTGSSA-N

Formula: C20H26O13

Molecular Weight: 474.413442

Exact Mass: 474.137341

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Blas, B., Zapp, J., Becker, H. Phytochemistry (2004) 65, 127-37

Species:

Notes: Family : Aromatics, Type : Acetophenones; 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) 102.3
2 (C) 162.1
3 (C) 104.6
4 (C) 160.6
5 (C) 105.3
6 (C) 163.9
7 (C) 203.5
8 (CH3) 31.4
1' (CH2) 32.5
2' (C) 122.5
3' (CH) 82.7
4' (CH) 78.8
5' (CH) 86.3
6' (CH2) 62.8
1'' (CH) 76.3
2'' (CH) 73.8
3'' (CH) 79.7
4'' (CH) 71.3
5'' (CH) 82.5
6'' (CH2) 62.2