Isorhamnetin 3-O-b-d-2'',3'',4''-triacetylglucopyran

Isorhamnetin 3-O-b-d-2'',3'',4''-triacetylglucopyran

Common Name: Isorhamnetin 3-O-b-d-2'',3'',4''-triacetylglucopyran

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C28H28O15/c1-11(30)38-24-20(10-29)42-28(27(40-13(3)32)26(24)39-12(2)31)43-25-22(36)21-17(35)8-15(33)9-19(21)41-23(25)14-5-6-16(34)18(7-14)37-4/h5-9,20,24,26-29,33-35H,10H2,1-4H3/t20-,24-,26+,27-,28+/m1/s1

InChIKey: InChIKey=IEPFJUWLUIZSOQ-DCLXZINWSA-N

Formula: C28H28O15

Molecular Weight: 604.51402

Exact Mass: 604.14282

NMR Solvent: CDDl3 + DMSO-d6

MHz:

Calibration:

NMR references: 13C - Manguro, L.O., Ugi, I., Hermann, R., Lemmen, P Phytochemistry (2003) 63, 497-502

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) 156.5
3 (C) 134.02
4 (C) 179.15
5 (C) 161.01
6 (CH) 99.53
7 (C) 164.2
8 (CH) 94.64
9 (C) 156.4
10 (C) 104.35
1' (C) 121.4
2' (CH) 114.3
3' (C) 148.1
4' (C) 146.75
5' (CH) 116.03
6' (CH) 121.81
1'' (CH) 103
2'' (CH) 78.2
3'' (CH) 79.63
4'' (CH) 73.6
5'' (CH) 74.4
6'' (CH2) 60.77
3'a (CH3) 56.34
2''a (C) 170.3
2''b (CH3) 20.5
3''a (C) 170.75
3''b (CH3) 20.7
4''a (C) 171.03
4''b (CH3) 21.2