Baeckein A

Baeckein A

Common Name: Baeckein A

Synonyms: 4H,​8H-​[2]​Benzopyrano[3,​4-​h]​-​1-​benzopyran-​4,​8-​dione, 2-​(3,​4-​dihydroxyphenyl)​-​3,​5,​10,​11-​tetrahydroxy-​6-​methyl-

CAS Registry Number: 1357865-66-7

InChI:

InChIKey:

Formula: C23H14O10

Molecular Weight: 450.355

Exact Mass: 450.0587

NMR Solvent: DMSO-d6

MHz: 500 (1H), 125 (13C)

Calibration: TMS

NMR references: Jia, B., Yang, J., Chen, X., Cao, Y., Lai, M., Wang, Q. (2011). Baeckeins A and B, Two Novel 6-Methylflavonoids from the Roots of Baeckea frutescens. Helv. Chim. Acta 94, 2283-2288.

Species: Baeckea frutescens - Jia, B., Yang, J., Chen, X., Cao, Y., Lai, M., Wang, Q. (2011). Baeckeins A and B, Two Novel 6-Methylflavonoids from the Roots of Baeckea frutescens. Helv. Chim. Acta 94, 2283-2288.

Notes: Trivial atom numbering

Proton NMR Peaks

Position PPM Peak Type J (Hz)
2' 6.95 d 8.5
5' 7.69 d 2.2
6' 7.48 dd 8.5, 2.2
3'' 8.3 s
6'' 7.62 s
6-CH3 2.25 s
5-OH 13.45 s

Carbon NMR Peaks

Position PPM
2 147.9
3 136.5
4 176.3
5 156.7
6 106.7
7 153.2
8 99.4
9 150.2
10 106.3
1' 121.4
2' 115.6
3' 145.2
4' 149.4
5' 116.2
6' 120.2
1'' 110.8
2'' 126.5
3'' 112.2
4'' 146.1
5'' 153.4
6'' 114.4
7'' 159.1
6-CH3 7.5