3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-deoxy-2,3-bis-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-alpha-L-mannopyranoside

3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-deoxy-2,3-bis-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-alpha-L-mannopyranoside

Common Name: 3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-deoxy-2,3-bis-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-alpha-L-mannopyranoside

Synonyms: 3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl 6-deoxy-2,3-bis-O-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-alpha-L-mannopyranoside

CAS Registry Number:

InChI: InChI=1S/C39H32O14/c1-20-33(46)37(52-30(44)16-6-21-2-10-24(40)11-3-21)38(53-31(45)17-7-22-4-12-25(41)13-5-22)39(49-20)50-27-18-28(43)32-29(19-27)51-36(35(48)34(32)47)23-8-14-26(42)15-9-23/h2-20,33,37-43,46,48H,1H3/b16-6+,17-7+/t20-,33-,37+,38+,39-/m0/s1

InChIKey: InChIKey=MCRKSHUHZRIUDW-UHXFTNJJSA-N

Formula: C39H32O14

Molecular Weight: 724.664473

Exact Mass: 724.179206

NMR Solvent: CD3COCD3

MHz:

Calibration:

NMR references: 13C - Ho, J.C., Chen, C.M., Row, L.C. J Nat Prod (2005) 68, 1773-5

Species:

Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavonols; 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) 158.3
3 (C) 135.3
4 (C) 179.3
5 (C) 163.5
6 (CH) 100
7 (C) 165.4
8 (CH) 95
9 (C) 158.6
10 (C) 106.1
1' (C) 122.6
2' (CH) 132
3' (CH) 116.7
4' (C) 161
5' (CH) 116.7
6' (CH) 132
1'' (CH) 100
2'' (CH) 71
3'' (CH) 73
4'' (CH) 70.7
5'' (CH) 72.2
6'' (CH3) 18.2
2''a (C) 166.8
2''b (CH) 115.6
2''c (CH) 147
2''d (C) 127.2
2''e (CH) 131.5
2''f (CH) 117.1
2''g (C) 161.2
2''h (CH) 117.1
2''i (CH) 131.5
3''a (C) 167.5
3''b (CH) 115
3''c (CH) 146.3
3''d (C) 127.1
3''e (CH) 131.3
3''f (CH) 117.1
3''g (C) 161.4
3''h (CH) 117.1
3''i (CH) 131.3