Spektraris NMR
5,6,4'-Trihydroxyflavone 7-O-α-L-2,3-di-O-acetylrhamnopyranosyL-(1f6)-β-D-glucopyranoside
Common Name: 5,6,4'-Trihydroxyflavone 7-O-α-L-2,3-di-O-acetylrhamnopyranosyL-(1f6)-β-D-glucopyranoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C31H34O17/c1-11-22(36)28(44-12(2)32)29(45-13(3)33)31(43-11)42-10-20-24(38)26(40)27(41)30(48-20)47-19-9-18-21(25(39)23(19)37)16(35)8-17(46-18)14-4-6-15(34)7-5-14/h4-9,11,20,22,24,26-31,34,36-41H,10H2,1-3H3/t11-,20+,22-,24+,26-,27+,28+,29+,30+,31+/m0/s1
InChIKey: InChIKey=SBKDMCQRDPOEID-QWRLEPBMSA-N
Formula: C31H34O17
Molecular Weight: 678.592682
Exact Mass: 678.1796
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) | 167.9 |
| 3 (CH) | 104.3 |
| 4 (C) | 185.3 |
| 5 (C) | 148.8 |
| 6 (C) | 132.6 |
| 7 (C) | 153.4 |
| 8 (CH) | 96 |
| 9 (C) | 152.3 |
| 10 (C) | 108.3 |
| 1' (C) | 124.4 |
| 2' (CH) | 130.5 |
| 3' (CH) | 117.8 |
| 4' (C) | 163.5 |
| 5' (CH) | 117.8 |
| 6' (CH) | 130.5 |
| 1'' (CH) | 102.7 |
| 2'' (CH) | 75.4 |
| 3'' (CH) | 78.1 |
| 4'' (CH) | 72.1 |
| 5'' (CH) | 77.9 |
| 6'' (CH2) | 68 |
| 1''' (CH) | 99.9 |
| 2''' (CH) | 71.9 |
| 3''' (CH) | 73.9 |
| 4''' (CH) | 72.1 |
| 5''' (CH) | 71 |
| 6''' (CH3) | 18.6 |
| 2'''a (C) | 172.2 |
| 2'''b (CH3) | 21.3 |
| 3'''a (C) | 172.8 |
| 3'''b (CH3) | 21.5 |
