Common Name: Kurarinone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H30O6/c1-14(2)6-7-16(15(3)4)10-19-21(29)12-24(31-5)25-22(30)13-23(32-26(19)25)18-9-8-17(27)11-20(18)28/h6,8-9,11-12,16,23,27-29H,3,7,10,13H2,1-2,4-5H3/t16?,23-/m0/s1
InChIKey: InChIKey=LTTQKYMNTNISSZ-KESSSICBSA-N
Formula: C26H30O6
Molecular Weight: 438.513786
Exact Mass: 438.204239
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Kang, T.H., Jeong, S.J., Ko, W.G., Kim, N.Y., Lee, B.H., Inagaki, M., Miyamoto, T., Higuchi, R., Kim, Y.C. J Nat Prod (2000) 63, 680-1
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavanones; 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)
Position | PPM |
---|---|
2 (CH) | 75 |
3 (CH2) | 45.7 |
4 (C) | 189.6 |
5 (C) | 162.7 |
6 (CH) | 93.5 |
7 (C) | 163.8 |
8 (C) | 108.5 |
9 (C) | 161.2 |
10 (C) | 106.1 |
1' (C) | 118.3 |
2' (C) | 156 |
3' (CH) | 103.3 |
4' (C) | 159.1 |
5' (CH) | 107.7 |
6' (CH) | 128.4 |
1'' (CH2) | 28 |
2'' (CH) | 47.7 |
3'' (CH2) | 31.9 |
4'' (CH) | 124.5 |
5'' (C) | 131.5 |
6'' (CH3) | 17.8 |
7'' (CH3) | 25.8 |
8'' (C) | 149.2 |
9'' (CH2) | 111.1 |
10'' (CH3) | 19.1 |
5a (CH3) | 55.7 |