Spektraris NMR
5'-Methoxyhydnocarpin-D
Common Name: 5'-Methoxyhydnocarpin-D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H22O10/c1-32-19-5-12(3-4-15(19)29)25-23(11-27)36-26-21(33-2)6-13(7-22(26)35-25)18-10-17(31)24-16(30)8-14(28)9-20(24)34-18/h3-10,23,25,27-30H,11H2,1-2H3/t23-,25-/m1/s1
InChIKey: InChIKey=NIOAGUZTTGFPGK-ILBGXUMGSA-N
Formula: C26H22O10
Molecular Weight: 494.447879
Exact Mass: 494.121297
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Stermitz, F.R., Tawara-Matsuda, J., Lorenz, P., Mueller, P., Zenewicz, L., Lewis, K. J Nat Prod (2000) 63, 1146-9
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) | 103.8 |
| 4 (C) | 181.7 |
| 5 (C) | 161.2 |
| 6 (CH) | 98.7 |
| 7 (C) | 162.9 |
| 8 (CH) | 94 |
| 9 (C) | 157.2 |
| 10 (C) | 103.8 |
| 1' (C) | 122.1 |
| 2' (CH) | 108.1 |
| 3' (C) | 144.1 |
| 4' (C) | 136.5 |
| 5' (C) | 148.9 |
| 6' (CH) | 102.8 |
| 1'' (C) | 127.1 |
| 2'' (CH) | 117.7 |
| 3'' (C) | 147.8 |
| 4'' (C) | 147.5 |
| 5'' (CH) | 115.2 |
| 6'' (CH) | 120.4 |
| 3'a (CH) | 75.9 |
| 4'a (CH) | 78.2 |
| 4'b (CH2) | 61.7 |
| 5'a (CH3) | 56.4 |
| 3''a (CH3) | 56.8 |
