Spektraris NMR
Tetraacetate of 7,8-dihydroxy-4'-methoxyisoflavone-8-O-β-glucopyranoside
Common Name: Tetraacetate of 7,8-dihydroxy-4'-methoxyisoflavone-8-O-β-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H30O14/c1-14(31)38-13-23-27(40-15(2)32)28(41-16(3)33)29(42-17(4)34)30(43-23)44-26-22(35)11-10-20-24(36)21(12-39-25(20)26)18-6-8-19(37-5)9-7-18/h6-12,23,27-30,35H,13H2,1-5H3/t23-,27-,28+,29-,30+/m1/s1
InChIKey: InChIKey=UBXSYQDOFIYMHL-LJIDESGUSA-N
Formula: C30H30O14
Molecular Weight: 614.551969
Exact Mass: 614.163556
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Rukachaisirikul, V., Sukpondma, Y., Jansakul, C., Taylor, W.C. Phytochemistry (2002) 60, 827-34
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) | 151.3 |
| 3 (C) | 125.3 |
| 4 (C) | 175.6 |
| 5 (CH) | 124.3 |
| 6 (CH) | 115.3 |
| 7 (C) | 154.4 |
| 8 (C) | 131.1 |
| 9 (C) | 150.2 |
| 10 (C) | 118.7 |
| 1' (C) | 123.5 |
| 2' (CH) | 130.2 |
| 3' (CH) | 114.1 |
| 4' (C) | 159.9 |
| 5' (CH) | 114.1 |
| 6' (CH) | 130.2 |
| 1'' (CH) | 103.4 |
| 2'' (CH) | 71 |
| 3'' (CH) | 72.1 |
| 4'' (CH) | 67.9 |
| 5'' (CH) | 72.7 |
| 6'' (CH2) | 61.3 |
| 4'a (CH3) | 55.4 |
| 2''a (C) | 170.6 |
| 2''b (CH3) | 20.6 |
| 3''a (C) | 170.1 |
| 3''b (CH3) | 20.7 |
| 4''a (C) | 169.3 |
| 4''b (CH3) | 20.6 |
| 6''a (C) | 169.2 |
| 6''b (CH3) | 20.7 |
