4',6,7-Trihydroxyisoflavone triacetate

4',6,7-Trihydroxyisoflavone triacetate

Common Name: 4',6,7-Trihydroxyisoflavone triacetate

Synonyms: 4',6,7-Trihydroxyisoflavone triacetate

CAS Registry Number:

InChI: InChI=1S/C21H16O8/c1-11(22)27-15-6-4-14(5-7-15)17-10-26-18-9-20(29-13(3)24)19(28-12(2)23)8-16(18)21(17)25/h4-10H,1-3H3

InChIKey: InChIKey=XRHUFAPVOZZSDG-UHFFFAOYSA-N

Formula: C21H16O8

Molecular Weight: 396.347745

Exact Mass: 396.084517

NMR Solvent: CDDl3 + DMSO-d6

MHz:

Calibration:

NMR references: 13C - Jha, B.C., Zilliken, F., Breitmaier, B. Can J Chem (1980) 58, 1211

Species:

Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavones; 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 (CH) 154.5
3 (C) 124.2
4 (C) 175.2
5 (CH) 113.8
6 (C) 147.2
7 (C) 154.2
8 (CH) 120.4
9 (C) 140.6
10 (C) 122.9
1' (C) 129.5
2' (CH) 130.5
3' (CH) 122.2
4' (C) 151.2
5' (CH) 122.2
6' (CH) 130.5
6a (C) 167.8
6b (CH3) 20.9
7a (C) 169.6
7b (CH3) 20.8
4'a (C) 168.5
4'b (CH3) 21.3