Spektraris NMR
2',7-Dihydroxy-4',5',5,6-tetramethoxyisoflavone 7-O-(5-O-transp-coumaroyl)-Beta-D-apiofuranosyl-(1f6)-Beta-D-glucopyranoside
Common Name: 2',7-Dihydroxy-4',5',5,6-tetramethoxyisoflavone 7-O-(5-O-transp-coumaroyl)-Beta-D-apiofuranosyl-(1f6)-Beta-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C39H42O19/c1-49-23-11-20(22(41)12-24(23)50-2)21-14-53-25-13-26(34(51-3)35(52-4)29(25)30(21)43)57-37-33(46)32(45)31(44)27(58-37)15-54-38-36(47)39(48,17-56-38)16-55-28(42)10-7-18-5-8-19(40)9-6-18/h5-14,27,31-33,36-38,40-41,44-48H,15-17H2,1-4H3/b10-7+/t27-,31-,32+,33-,36+,37-,38-,39-/m1/s1
InChIKey: InChIKey=SLCQCZUULPPJKX-VFLINKHKSA-N
Formula: C39H42O19
Molecular Weight: 814.740905
Exact Mass: 814.232029
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Wang, J., Yang, X., Di, Y., Wang, Y., Shen, Y., Hao, X. J Nat Prod (2006) 69, 778-82
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) | 157.4 |
| 3 (C) | 121.7 |
| 4 (C) | 182.5 |
| 5 (C) | 154.4 |
| 6 (C) | 134.1 |
| 7 (C) | 157.9 |
| 8 (CH) | 95.8 |
| 9 (C) | 154.6 |
| 10 (C) | 108.5 |
| 1' (C) | 112 |
| 2' (C) | 153.8 |
| 3' (CH) | 99.3 |
| 4' (C) | 151.8 |
| 5' (C) | 144.2 |
| 6' (CH) | 117.3 |
| 1'' (CH) | 102.1 |
| 2'' (CH) | 74.7 |
| 3'' (CH) | 78 |
| 4'' (CH) | 71.9 |
| 5'' (CH) | 77.3 |
| 6'' (CH2) | 69.4 |
| 1''' (CH) | 111.1 |
| 2''' (CH) | 78.7 |
| 3''' (C) | 78.8 |
| 4''' (CH2) | 75.1 |
| 5''' (CH2) | 67.2 |
| 1'''' (C) | 168.8 |
| 2'''' (CH) | 114.6 |
| 3'''' (CH) | 147 |
| 4'''' (C) | 126.9 |
| 5'''' (CH) | 131.2 |
| 6'''' (CH) | 116.8 |
| 7'''' (C) | 161.3 |
| 8'''' (CH) | 116.8 |
| 9'''' (CH) | 131.2 |
| 5a (CH3) | 57 |
| 6a (CH3) | 61.5 |
| 4'a (CH3) | 56.6 |
| 5'a (CH3) | 57.4 |
