(+)-Morelloflavone-7''-sulfate

(+)-Morelloflavone-7''-sulfate

Common Name: (+)-Morelloflavone-7''-sulfate

Synonyms: [3,​8'-​Bi-​4H- ​1-​benzopyran]​-​4,​4'-​dione, 2'-​(3,​4-​dihydroxyphenyl)​-​2,​3-​dihydro-​5,​5',​7-​trihydroxy-​2-​ (4-​hydroxyphenyl)​-​7'-​(sulfooxy)​-​, (2R,​3S)​

CAS Registry Number: 500761-22-8

InChI:

InChIKey:

Formula: C30H20O14S1

Molecular Weight: 636.54

Exact Mass: 636.0574

NMR Solvent: DMSO-d6

MHz: not specified

Calibration: Calibrated relative to deuterated solvent

NMR references: Li, X., Joshi, A., Tan, B., ElSohly, H., Walker, L., Zjawiony, J., Ferreira, D. (2002). Absolute configuration, conformation, and chiral properties of flavanone-(3→8")-flavone biflavonoids from Rheedia acuminata. Tetrahedron 58, 8709-8717.

Species: Rheedia acuminata - Li, X., Joshi, A., Tan, B., ElSohly, H., Walker, L., Zjawiony, J., Ferreira, D. (2002). Absolute configuration, conformation, and chiral properties of flavanone-(3→8")-flavone biflavonoids from Rheedia acuminata. Tetrahedron 58, 8709-8717.

Notes: Compound exists as two conformers. 13C signals represent major conformer.

Proton NMR Peaks

Position PPM Peak Type J (Hz)
2 5.83 d 12
3 4.87 d 12
6 (may be interchanged with 8) 5.97 d 1.8
8 (may be interchanged with 6) 5.95 d 1.8
2', 6' 7.2 d 8.4
3', 5' 6.33 d 8.4
5-OH 12.22 s
3"-OH 6.63 s
6"-OH 7.07 s
2'''-OH 7.42 d 2.1
5'''-OH 6.91 d 8.2
6'''-OH 7.43 dd 8.2, 2.1
5"-OH 12.97 s
2 5.65 d 12.4
3 5.09 d 12.4
6 (may be interchanged with 8) 6 br s
8 (may be interchanged with 6) 6.03 br s
2', 6' 7.1 d 8.5
3', 5' 6.6 d 8.5
5-OH 12.04
2'''-OH 7.26 br s
5'''-OH 6.56 d 8.6
6'''-OH 7.04 br d 9, 2
5"-OH 12.83 s

Carbon NMR Peaks

Position PPM
2 80.9
3 48.5
4 195.5
5 162.9
6 95.2
7 163.9
8 96.2
9 166.8
10 101.5
1' 128.6
2' 128.5
3' 114.2
4' 157.1
5' 114.2
6' 128.5
2" 164.1
3" 102.5
4" 182.1
5" 159.8
6" 102.5
7" 157.7
8" 104.4
9" 154.5
10" 105.2
1''' 120.6
2''' 129.9
3''' 116.1
4''' 161.5
5''' 116.1
6''' 129