Spektraris NMR
2''-O-(2'''-Methylbutyryl)vitexin
Common Name: 2''-O-(2'''-Methylbutyryl)vitexin
Synonyms: 2''-O-(2'''-Methylbutyryl)vitexin
CAS Registry Number:
InChI: InChI=1S/C26H28O11/c1-3-11(2)26(34)37-25-22(33)21(32)18(10-27)36-24(25)20-15(30)8-14(29)19-16(31)9-17(35-23(19)20)12-4-6-13(28)7-5-12/h4-9,11,18,21-22,24-25,27-30,32-33H,3,10H2,1-2H3/t11?,18-,21-,22+,24+,25-/m1/s1
InChIKey: InChIKey=WEAUPFXXCUHVAE-CEQOHUSQSA-N
Formula: C26H28O11
Molecular Weight: 516.494929
Exact Mass: 516.163162
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Zou, J.H., Yang, J., Zhou, L. J Nat Prod (2004) 67, 664-7
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) | 163.7 |
| 3 (CH) | 102 |
| 4 (C) | 181.7 |
| 5 (C) | 160.6 |
| 6 (CH) | 97.4 |
| 7 (C) | 161.8 |
| 8 (C) | 102.2 |
| 9 (C) | 156.2 |
| 10 (C) | 103.6 |
| 1' (C) | 121.3 |
| 2' (CH) | 128.7 |
| 3' (CH) | 115.5 |
| 4' (C) | 160.2 |
| 5' (CH) | 115.5 |
| 6' (CH) | 128.7 |
| 1'' (CH) | 70.6 |
| 2'' (CH) | 71.3 |
| 3'' (CH) | 75.2 |
| 4'' (CH) | 70.2 |
| 5'' (CH) | 81.7 |
| 6'' (CH2) | 60.6 |
| 2''a (C) | 174.4 |
| 2''b (CH) | 40.1 |
| 2''c (CH2) | 25.5 |
| 2''d (CH3) | 10.9 |
| 2''e (CH3) | 16.2 |
