Spektraris NMR
Erypoegin J
Common Name: Erypoegin J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H28O6/c1-14(2)19(27)11-16-20(29-5)7-6-18-23(16)31-24-17-10-15-8-9-25(3,4)32-21(15)12-22(17)30-13-26(18,24)28/h6-10,12,14,24,28H,11,13H2,1-5H3/t24-,26+/m0/s1
InChIKey: InChIKey=ROJRLACHXYBPFS-AZGAKELHSA-N
Formula: C26H28O6
Molecular Weight: 436.497904
Exact Mass: 436.188589
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tanaka, H., Oh-Uchi, T., Etoh, H., Sako, M., Sato, M., Fukai, T., Tateishi, Y. Phytochemistry (2003) 63, 597-602
Species:
Notes: Family : Flavonoids, Type : Pterocarpanoids; 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 |
|---|---|
| 1 (CH) | 128.7 |
| 2 (C) | 116.9 |
| 3 (C) | 154.7 |
| 4 (CH) | 104.8 |
| 6 (CH2) | 69.6 |
| 7 (CH) | 120.9 |
| 8 (CH) | 104.1 |
| 9 (C) | 160 |
| 10 (C) | 113.9 |
| 2' (C) | 76.8 |
| 3' (CH) | 129.4 |
| 4' (CH) | 121.8 |
| 5' (CH3) | 28.2 |
| 6' (CH3) | 28.4 |
| 1'' (CH2) | 22.7 |
| 2'' (C) | 122.2 |
| 3'' (CH) | 131.9 |
| 4'' (CH3) | 17.9 |
| 5'' (CH3) | 26 |
| 4a (C) | 155.6 |
| 6a (C) | 77.1 |
| 6b (C) | 120.6 |
| 9a (CH3) | 56.2 |
| 10a (C) | 158.7 |
| 11a (CH) | 84.5 |
| 11b (C) | 112.8 |
