Spektraris NMR
7-(2-O,4-O,6-O-Triacetyl-beta-D-glucopyranosyloxy)-4'-hydroxy-6-methoxyisoflavone
Common Name: 7-(2-O,4-O,6-O-Triacetyl-beta-D-glucopyranosyloxy)-4'-hydroxy-6-methoxyisoflavone
Synonyms: 7-(2-O,4-O,6-O-Triacetyl-beta-D-glucopyranosyloxy)-4'-hydroxy-6-methoxyisoflavone
CAS Registry Number:
InChI: InChI=1S/C28H28O13/c1-13(29)36-12-23-26(38-14(2)30)25(34)27(39-15(3)31)28(41-23)40-22-10-20-18(9-21(22)35-4)24(33)19(11-37-20)16-5-7-17(32)8-6-16/h5-11,23,25-28,32,34H,12H2,1-4H3/t23-,25+,26-,27-,28-/m1/s1
InChIKey: InChIKey=AAOWDCXVOOKARC-BYUBTRPSSA-N
Formula: C28H28O13
Molecular Weight: 572.51521
Exact Mass: 572.152991
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Hosny, M., Rosazza, J.P. J Nat Prod (1999) 62, 853-8
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) | 152.55 |
| 3 (C) | 123.82 |
| 4 (C) | 175.86 |
| 5 (CH) | 105.15 |
| 6 (C) | 146.78 |
| 7 (C) | 152.04 |
| 8 (CH) | 102.82 |
| 9 (C) | 151.9 |
| 10 (C) | 117.73 |
| 1' (C) | 122.3 |
| 2' (CH) | 130 |
| 3' (CH) | 115.58 |
| 4' (C) | 157.44 |
| 5' (CH) | 115.58 |
| 6' (CH) | 130 |
| 1'' (CH) | 98.95 |
| 2'' (CH) | 76.76 |
| 3'' (CH) | 72.18 |
| 4'' (CH) | 72.92 |
| 5'' (CH) | 69.61 |
| 6'' (CH2) | 64.97 |
| 6a (CH3) | 56.24 |
| 2''a (C) | 172.3 |
| 2''b (CH3) | 20.18 |
| 4''a (C) | 171.73 |
| 4''b (CH3) | 20.69 |
| 6''a (C) | 172.54 |
| 6''b (CH3) | 20.8 |
