Spektraris NMR
Apigenin 7-O-r-L-2,3-di-O-acetylrhamnopyranosyL-(1f6)-α-D-glucopyranoside
Common Name: Apigenin 7-O-r-L-2,3-di-O-acetylrhamnopyranosyL-(1f6)-α-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H34O16/c1-12-24(37)28(43-13(2)32)29(44-14(3)33)31(42-12)41-11-22-25(38)26(39)27(40)30(47-22)45-17-8-18(35)23-19(36)10-20(46-21(23)9-17)15-4-6-16(34)7-5-15/h4-10,12,22,24-31,34-35,37-40H,11H2,1-3H3/t12-,22+,24-,25+,26-,27+,28+,29+,30+,31+/m0/s1
InChIKey: InChIKey=YSOYXQCUOHSLOS-XHDIWSJJSA-N
Formula: C31H34O16
Molecular Weight: 662.593277
Exact Mass: 662.184685
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) | 184.4 |
| 5 (C) | 163.8 |
| 6 (CH) | 102.5 |
| 7 (C) | 165.5 |
| 8 (CH) | 96.7 |
| 9 (C) | 159.9 |
| 10 (C) | 108 |
| 1' (C) | 123.8 |
| 2' (CH) | 130.5 |
| 3' (CH) | 118 |
| 4' (C) | 163.9 |
| 5' (CH) | 118 |
| 6' (CH) | 130.5 |
| 1'' (CH) | 102.2 |
| 2'' (CH) | 75.5 |
| 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) | 72.2 |
| 5''' (CH) | 70.8 |
| 6''' (CH3) | 18.7 |
| 2'''a (C) | 173.1 |
| 2'''b (CH3) | 21.5 |
| 3'''a (C) | 173.3 |
| 3'''b (CH3) | 21.8 |
