5,5',7-Triacetoxy-7'-methoxy-2,2'-bis(4-acetoxyphenyl)-6,8'-bi[4H-1-benzopyran]-4,4'-dione

5,5',7-Triacetoxy-7'-methoxy-2,2'-bis(4-acetoxyphenyl)-6,8'-bi[4H-1-benzopyran]-4,4'-dione

Common Name: 5,5',7-Triacetoxy-7'-methoxy-2,2'-bis(4-acetoxyphenyl)-6,8'-bi[4H-1-benzopyran]-4,4'-dione

Synonyms: 5,5',7-Triacetoxy-7'-methoxy-2,2'-bis(4-acetoxyphenyl)-6,8'-bi[4H-1-benzopyran]-4,4'-dione

CAS Registry Number:

InChI: InChI=1S/C41H30O15/c1-19(42)50-26-11-7-24(8-12-26)30-15-28(47)37-34(55-30)18-35(53-22(4)45)39(40(37)54-23(5)46)38-32(49-6)17-33(52-21(3)44)36-29(48)16-31(56-41(36)38)25-9-13-27(14-10-25)51-20(2)43/h7-18H,1-6H3

InChIKey: InChIKey=BJZWEUVNJZEVIB-UHFFFAOYSA-N

Formula: C41H30O15

Molecular Weight: 762.669468

Exact Mass: 762.15847

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Moreira, I.C., de Carvalho, M.G., Bastos, A., Braz, R. Phytochemistry (1999) 51, 833-8

Species:

Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavones; 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) 161.57
3 (CH) 108.5
4 (C) 176.4
5 (C) 152.72
6 (C) 117.38
7 (C) 155.36
8 (CH) 109.9
9 (C) 157.06
10 (C) 115.08
1' (C) 128.3
2' (CH) 127.48
3' (CH) 122.27
4' (C) 153.23
5' (CH) 122.27
6' (CH) 127.48
2'' (C) 161.57
3'' (CH) 107.72
4'' (C) 176.15
5'' (C) 151.38
6'' (CH) 103.87
7'' (C) 160.99
8'' (C) 106.02
9'' (C) 160.99
10'' (C) 110.74
1''' (C) 128.43
2''' (CH) 127.43
3''' (CH) 122.09
4''' (C) 152.89
5''' (CH) 122.09
6''' (CH) 127.43
5a (C) 169.3
5b (CH3) 20.98
7a (C) 168.78
7b (CH3) 20.98
4'a (C) 168.7
4'b (CH3) 20.88
5''a (C) 167.96
5''b (CH3) 20.69
7''a (CH3) 56.42
4'''a (C) 167.46
4'''b (CH3) 20.36