Spektraris NMR
2''-O-(2'''-Methylbutyryl)orientin
Common Name: 2''-O-(2'''-Methylbutyryl)orientin
Synonyms: 2''-O-(2'''-Methylbutyryl)orientin
CAS Registry Number:
InChI: InChI=1S/C26H28O12/c1-3-10(2)26(35)38-25-22(34)21(33)18(9-27)37-24(25)20-15(31)7-14(30)19-16(32)8-17(36-23(19)20)11-4-5-12(28)13(29)6-11/h4-8,10,18,21-22,24-25,27-31,33-34H,3,9H2,1-2H3/t10?,18-,21-,22+,24+,25-/m1/s1
InChIKey: InChIKey=IXJHFORJGDOBHK-JXYLWMJSSA-N
Formula: C26H28O12
Molecular Weight: 532.494334
Exact Mass: 532.158076
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) | 164.1 |
| 3 (CH) | 102.6 |
| 4 (C) | 181.9 |
| 5 (C) | 160.5 |
| 6 (CH) | 97.6 |
| 7 (C) | 162 |
| 8 (C) | 102.3 |
| 9 (C) | 156.5 |
| 10 (C) | 103.9 |
| 1' (C) | 122 |
| 2' (CH) | 114 |
| 3' (C) | 145.7 |
| 4' (C) | 149.5 |
| 5' (CH) | 115.7 |
| 6' (CH) | 119.5 |
| 1'' (CH) | 70.9 |
| 2'' (CH) | 71.6 |
| 3'' (CH) | 75.7 |
| 4'' (CH) | 70.7 |
| 5'' (CH) | 82.1 |
| 6'' (CH2) | 61.3 |
| 2''a (C) | 174.6 |
| 2''b (CH) | 40.4 |
| 2''c (CH2) | 25.9 |
| 2''d (CH3) | 11.3 |
| 2''e (CH3) | 16.5 |
