Spektraris NMR
Apigenin 7-O-β-D-(6′′-cis-p-coumaroyl) glucoside
Common Name: Apigenin 7-O-β-D-(6′′-cis-p-coumaroyl) glucoside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H26O11/c31-18-6-1-16(2-7-18)3-12-26(34)38-15-25-27(35)28(36)29(37)30(41-25)39-20-10-11-21-22(33)14-23(40-24(21)13-20)17-4-8-19(32)9-5-17/h1-14,25,27-32,35-37H,15H2/b12-3-/t25-,27-,28+,29-,30-/m1/s1
InChIKey: InChIKey=TXKCGZYILHRIJH-LNTYITIVSA-N
Formula: C30H26O11
Molecular Weight: 562.521991
Exact Mass: 562.147512
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Chen, Y.L., Lan, Y.H., Hsieh, P.W., Wu, C.C., Chen, S.L., Yen, C.T., Chang, F.R., Hung, W.C., Wu, Y.C. J Nat Prod (2008) 71, 1207-12
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) | 164.9 |
| 3 (CH) | 103.9 |
| 4 (C) | 182.8 |
| 5 (CH) | 161.4 |
| 6 (CH) | 100.6 |
| 7 (C) | 163.2 |
| 8 (CH) | 95.4 |
| 9 (C) | 157.8 |
| 10 (C) | 106.6 |
| 1' (C) | 122 |
| 2' (CH) | 128.9 |
| 3' (CH) | 116.9 |
| 4' (C) | 162.9 |
| 5' (CH) | 116.9 |
| 6' (CH) | 128.9 |
| 1'' (CH) | 101.7 |
| 2'' (CH) | 74.6 |
| 3'' (CH) | 78.3 |
| 4'' (CH) | 71.4 |
| 5'' (CH) | 76.7 |
| 6'' (CH2) | 64.4 |
| 1''' (C) | 167.5 |
| 2''' (CH) | 114.7 |
| 3''' (CH) | 145.6 |
| 4''' (C) | 123.8 |
| 5''' (CH) | 130.6 |
| 6''' (CH) | 116.7 |
| 7''' (C) | 162.6 |
| 8''' (CH) | 116.7 |
| 9''' (CH) | 130.6 |
