Common Name: Millewanin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H28O6/c1-14(2)6-8-16-10-19(18(9-7-15(3)4)26(31-5)24(16)29)20-13-32-22-12-17(27)11-21(28)23(22)25(20)30/h6-7,10-13,27-29H,8-9H2,1-5H3
InChIKey: InChIKey=DZMHNWASEFIGIS-UHFFFAOYSA-N
Formula: C26H28O6
Molecular Weight: 436.497904
Exact Mass: 436.188589
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Ito, C., Itoigawa, M., Kojima, N., Tokuda, H., Hirata, T., Nishino, H., Furukawa, H. J Nat Prod (2004) 67, 1125-30
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavones; 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) | 153.9 |
3 (C) | 124.3 |
4 (C) | 181.1 |
5 (C) | 162.8 |
6 (CH) | 99.4 |
7 (C) | 162.2 |
8 (CH) | 93.9 |
9 (C) | 158.2 |
10 (C) | 106.1 |
1' (C) | 122.1 |
2' (C) | 132.2 |
3' (C) | 145.3 |
4' (C) | 147.5 |
5' (C) | 126.2 |
6' (CH) | 127.7 |
1'' (CH2) | 26.8 |
2'' (CH) | 123.2 |
3'' (C) | 131.6 |
4'' (CH3) | 17.5 |
5'' (CH3) | 25.4 |
1''' (CH2) | 28.1 |
2''' (CH) | 121.8 |
3''' (C) | 133.1 |
4''' (CH3) | 17.8 |
5''' (CH3) | 25.8 |
3'a (CH3) | 61.4 |