Spektraris NMR
Apigenin 7-O-α-L-3-O-acetylrhamnopyranosyL-(1-->6)-β-D-glucopyranoside
Common Name: Apigenin 7-O-α-L-3-O-acetylrhamnopyranosyL-(1-->6)-β-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C29H32O15/c1-11-22(34)27(41-12(2)30)26(38)28(40-11)39-10-20-23(35)24(36)25(37)29(44-20)42-15-7-16(32)21-17(33)9-18(43-19(21)8-15)13-3-5-14(31)6-4-13/h3-9,11,20,22-29,31-32,34-38H,10H2,1-2H3/t11-,20+,22-,23+,24-,25+,26+,27+,28+,29+/m0/s1
InChIKey: InChIKey=WXBYVUCALCQKLS-MRBYITRJSA-N
Formula: C29H32O15
Molecular Weight: 620.556519
Exact Mass: 620.17412
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Li, Y., Chen, X., Satake, M., Oshima, Y., Ohizumi, Y. J Nat Prod (2004) 67, 725-7
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) | 167.7 |
| 3 (CH) | 104.9 |
| 4 (C) | 184.9 |
| 5 (C) | 163.9 |
| 6 (CH) | 102.1 |
| 7 (C) | 165.4 |
| 8 (CH) | 96.6 |
| 9 (C) | 159.9 |
| 10 (C) | 107.8 |
| 1' (C) | 123.7 |
| 2' (CH) | 130.5 |
| 3' (CH) | 118 |
| 4' (C) | 163.9 |
| 5' (CH) | 118 |
| 6' (CH) | 130.5 |
| 1'' (CH) | 102.3 |
| 2'' (CH) | 75.6 |
| 3'' (CH) | 78.6 |
| 4'' (CH) | 72.2 |
| 5'' (CH) | 78 |
| 6'' (CH2) | 68.2 |
| 1''' (CH) | 102.6 |
| 2''' (CH) | 70.7 |
| 3''' (CH) | 76.6 |
| 4''' (CH) | 72.1 |
| 5''' (CH) | 70.7 |
| 6''' (CH3) | 18.7 |
| 3'''a (C) | 173.3 |
| 3'''b (CH3) | 21.7 |
