Spektraris NMR
Diandraflavone A
Common Name: Diandraflavone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H32O13/c1-11-23(32)15(31)8-18(38-11)22-17(37-2)9-19-21(25(22)34)14(30)7-16(40-19)12-3-5-13(6-4-12)39-28-27(36)26(35)24(33)20(10-29)41-28/h3-7,9,11,15,18,20,23-24,26-29,31-36H,8,10H2,1-2H3/t11-,15-,18-,20-,23+,24-,26+,27-,28-/m1/s1
InChIKey: InChIKey=GJQWEXQXMZQZBX-BFPHBORISA-N
Formula: C28H32O13
Molecular Weight: 576.546973
Exact Mass: 576.184291
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Hsieh, P.W., Chang, F.R., Lee, K.H., Hwang, T.L., Chang, S.M., Wu, Y.C. J Nat Prod (2004) 67, 1175-7
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavones; 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 (C) | 163.8 |
| 3 (CH) | 104.9 |
| 4 (C) | 182.9 |
| 5 (C) | 161.3 |
| 6 (C) | 112.6 |
| 7 (C) | 164.2 |
| 8 (CH) | 91 |
| 9 (C) | 157.4 |
| 10 (C) | 104.9 |
| 1' (C) | 124.7 |
| 2' (CH) | 128.5 |
| 3' (CH) | 117.2 |
| 4' (C) | 161.3 |
| 5' (CH) | 117.2 |
| 6' (CH) | 128.5 |
| 1'' (CH) | 69.8 |
| 2'' (CH2) | 32.5 |
| 3'' (CH) | 71.1 |
| 4'' (CH) | 71.3 |
| 5'' (CH) | 75.5 |
| 6'' (CH3) | 18.1 |
| 1''' (CH) | 101.6 |
| 2''' (CH) | 74.8 |
| 3''' (CH) | 78.4 |
| 4''' (CH) | 72.1 |
| 5''' (CH) | 79.2 |
| 6''' (CH2) | 62.4 |
| 7a (CH3) | 56.3 |
