Spektraris NMR
5-Methoxyxanthocercin A
Common Name: 5-Methoxyxanthocercin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H26O11/c1-33-18-6-5-13(7-17(18)30)16-12-37-26-15(23(16)31)10-21(36-4)27-28(26)38-22(11-29)25(39-27)14-8-19(34-2)24(32)20(9-14)35-3/h5-10,12,22,25,29-30,32H,11H2,1-4H3/t22-,25-/m1/s1
InChIKey: InChIKey=PDFRGLKIUUWXHS-RCZVLFRGSA-N
Formula: C28H26O11
Molecular Weight: 538.500519
Exact Mass: 538.147512
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Jang, D.S., Park, E.J., Hawthorne, M.E., Vigo, J.S., Graham, J.G., Cabieses, F., Santarsiero, B.D., Mesecar, A.D., Fong, H.H., Mehta, R.G., Pezzuto, J.M., Kinghorn, A.D. J Nat Prod (2003) 66, 583-7
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) | 152.8 |
| 3 (C) | 124.6 |
| 4 (C) | 174.1 |
| 5 (CH) | 95.7 |
| 6 (C) | 146.6 |
| 7 (C) | 138 |
| 8 (C) | 132.6 |
| 9 (C) | 141.1 |
| 10 (C) | 116.9 |
| 1' (C) | 123 |
| 2' (CH) | 116.4 |
| 3' (C) | 146 |
| 4' (C) | 147.5 |
| 5' (CH) | 111.9 |
| 6' (CH) | 119.7 |
| 6a (CH3) | 55.58 |
| 7a (CH) | 76.6 |
| 7aa (C) | 125.5 |
| 7ab (CH) | 105.6 |
| 7ac (C) | 147.9 |
| 7ad (C) | 136.2 |
| 7ae (C) | 147.9 |
| 7af (CH) | 105.6 |
| 7ag (CH3) | 56 |
| 7ah (CH3) | 56 |
| 8a (CH) | 77.8 |
| 8aa (CH2) | 59.8 |
| 4'a (CH3) | 55.61 |
