Sciadopitysin

Sciadopitysin

Common Name: Sciadopitysin

Synonyms: 7,4',4'''-Trimethylamentoflavone

CAS Registry Number: 521-34-6

InChI:

InChIKey:

Formula: C33H24O10

Molecular Weight: 580.545

Exact Mass: 580.137

NMR Solvent: DMSO-d6 (1H), methanol-d3 (13C)

MHz: 400 (1H), 125 (13C)

Calibration: TMS

NMR references: Ryu, Y., Jeong, H., Kim, J., Kim, Y., Park, J., Kim, D., Naguyen, T., Park, S., Chang, J., Park, K., Rho, M., Lee, W. (2010). Biflavonoids from Torreya nucifera displaying SARS-CoV 3CLpro inhibition. Bioorg. Med. Chem. 18, 7940-7947.

Wollenweber, E., Kraut, L., Mues, R. (1998). External Accumulation of Biflavonoids on Gymnosperm Leaves. Z. Naturforsch. 53c, 946-950.

Species: Torreya nucifera - Ryu, Y., Jeong, H., Kim, J., Kim, Y., Park, J., Kim, D., Naguyen, T., Park, S., Chang, J., Park, K., Rho, M., Lee, W. (2010). Biflavonoids from Torreya nucifera displaying SARS-CoV 3CLpro inhibition. Bioorg. Med. Chem. 18, 7940-7947.

Notes: 1H NMR obtained from Wollenweber, E., Kraut, L., Mues, R. (1998). External Accumulation of Biflavonoids on Gymnosperm Leaves. Z. Naturforsch. 53c, 946-950. 13C NMR data obtained from Ryu et al.

Proton NMR Peaks

Position PPM Peak Type J (Hz)
3 7 s
6 6.35 d 2.2
8 6.79 d 2.2
2' 8.07 d 2.4
5' 7.35 d 8.9
6' 8.21 dd 2.5, 8.8
3" 6.87 s
6" 6.37 s
2''', 6''' 7.59 d 9
3''', 5''' 6.92 d 9
5-OH 12.91 s
5"-OH 13.03 s
7-OCH3 3.82 s
4'-OCH3 3.78 s
4'''-OCH3 3.75 s

Carbon NMR Peaks

Position PPM
2 163.1
3 103.8
4 182.3
5 161.5
6 95.5
7 164.3
8 94.1
9, 5" 160.3
10 104.6
1' 122.6
2' 128.3
3' 121.2
4' 161.4
5' 111.8
6' 153.4
2" 163.4
3" 103.2
4" 181.7
6" 98.9
7" 162.6
8" 104.1
9" 157.4
10" 103.7
1''' 122.7
2''', 6''' 127.9
3''', 5''' 114.5
4''' 162.3
OCH3 55.5
OCH3 55.9
OCH3 56.5