Myricetin 3-O-(3''-O-galloyl)-α-rhamnopyranoside 7-methyl ether

Myricetin 3-O-(3''-O-galloyl)-α-rhamnopyranoside 7-methyl ether

Common Name: Myricetin 3-O-(3''-O-galloyl)-α-rhamnopyranoside 7-methyl ether

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C29H26O16/c1-9-20(35)26(44-28(40)11-5-16(33)22(37)17(34)6-11)24(39)29(42-9)45-27-23(38)19-13(30)7-12(41-2)8-18(19)43-25(27)10-3-14(31)21(36)15(32)4-10/h3-9,20,24,26,29-37,39H,1-2H3/t9-,20-,24+,26+,29-/m0/s1

InChIKey: InChIKey=PSLHITKXAIEMKE-RAJHACLQSA-N

Formula: C29H26O16

Molecular Weight: 630.508279

Exact Mass: 630.122085

NMR Solvent: CD3OD

MHz:

Calibration:

NMR references: 13C - Lee, T.H., Qiu, F., Waller, G.R., Chou, C.H. J Nat Prod (2000) 63, 710-2

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) 158.1
3 (C) 135.1
4 (C) 178
5 (C) 161
6 (CH) 97.9
7 (C) 165.2
8 (CH) 92.3
9 (C) 156.4
10 (C) 105
1' (C) 119.5
2' (CH) 108
3' (C) 145.9
4' (C) 136.7
5' (C) 145.9
6' (CH) 108
1'' (CH) 102.7
2'' (CH) 67.8
3'' (CH) 73.8
4'' (CH) 68.6
5'' (CH) 71.1
6'' (CH3) 17.5
1''' (C) 165.7
2''' (C) 120
3''' (CH) 109
4''' (C) 145.4
5''' (C) 138.3
6''' (C) 145.4
7''' (CH) 109
7a (CH3) 56.1