Millewanin A

Millewanin A

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)

Carbon NMR Peaks

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