Spektraris NMR
2',7-Dihydroxy-4',5',5,6-tetramethoxyisoflavone 7-O-Beta-D-apiofuranosyl-(1f6)-Beta-D-glucopyranoside
Common Name: 2',7-Dihydroxy-4',5',5,6-tetramethoxyisoflavone 7-O-Beta-D-apiofuranosyl-(1f6)-Beta-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H36O17/c1-39-15-5-12(14(32)6-16(15)40-2)13-8-43-17-7-18(25(41-3)26(42-4)20(17)21(13)33)46-28-24(36)23(35)22(34)19(47-28)9-44-29-27(37)30(38,10-31)11-45-29/h5-8,19,22-24,27-29,31-32,34-38H,9-11H2,1-4H3/t19-,22-,23+,24-,27+,28-,29-,30-/m1/s1
InChIKey: InChIKey=NNSNYMPKYJWODW-CAPWFDAUSA-N
Formula: C30H36O17
Molecular Weight: 668.597828
Exact Mass: 668.19525
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) | 157.6 |
| 3 (C) | 121.7 |
| 4 (C) | 182.6 |
| 5 (C) | 154.4 |
| 6 (C) | 134.1 |
| 7 (C) | 157.9 |
| 8 (CH) | 95.8 |
| 9 (C) | 154.7 |
| 10 (C) | 108.4 |
| 1' (C) | 112.2 |
| 2' (C) | 153.9 |
| 3' (CH) | 99.4 |
| 4' (C) | 151.9 |
| 5' (C) | 144.2 |
| 6' (CH) | 117.5 |
| 1'' (CH) | 102 |
| 2'' (CH) | 75 |
| 3'' (CH) | 78 |
| 4'' (CH) | 71.6 |
| 5'' (CH) | 77.2 |
| 6'' (CH2) | 69 |
| 1''' (CH) | 111.2 |
| 2''' (CH) | 78.1 |
| 3''' (C) | 80.4 |
| 4''' (CH2) | 75 |
| 5''' (CH2) | 65.6 |
| 5a (CH3) | 57 |
| 6a (CH3) | 61.5 |
| 4'a (CH3) | 56.7 |
| 5'a (CH3) | 57.5 |
