3',4',5,7-Tetrahydroxy-2',5'-di(3-methyl-2-butenyl)isoflavone

3',4',5,7-Tetrahydroxy-2',5'-di(3-methyl-2-butenyl)isoflavone

Common Name: 3',4',5,7-Tetrahydroxy-2',5'-di(3-methyl-2-butenyl)isoflavone

Synonyms: 3',4',5,7-Tetrahydroxy-2',5'-di(3-methyl-2-butenyl)isoflavone

CAS Registry Number:

InChI: InChI=1S/C25H26O6/c1-13(2)5-7-15-9-18(17(8-6-14(3)4)25(30)23(15)28)19-12-31-21-11-16(26)10-20(27)22(21)24(19)29/h5-6,9-12,26-28,30H,7-8H2,1-4H3

InChIKey: InChIKey=RWGZXUWGOARVDQ-UHFFFAOYSA-N

Formula: C25H26O6

Molecular Weight: 422.471287

Exact Mass: 422.172939

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Ahn, E.M., Nakamura, N., Akao, T., Komatsu, K., Qui, M.H., Hattori, M. Phytochemistry (2003) 64, 1389-94

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) 153.9
3 (C) 124.4
4 (C) 181.2
5 (C) 162.7
6 (CH) 99.5
7 (C) 162.3
8 (CH) 94.1
9 (C) 158.2
10 (C) 105.9
1' (C) 121.5
2' (C) 124.9
3' (C) 142.5
4' (C) 143.1
5' (C) 125.4
6' (CH) 123.4
1'' (CH2) 27.7
2'' (CH) 122.2
3'' (C) 134.6
4'' (CH3) 25.7
5'' (CH3) 17.8
1''' (CH2) 28.7
2''' (CH) 121.8
3''' (C) 134.2
4''' (CH3) 25.8
5''' (CH3) 17.8