Spektraris NMR
Olibergin B
Common Name: Olibergin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H28O5/c1-16(2)6-5-7-17(3)8-13-20-22(27)14-23(28)24-25(29)21(15-31-26(20)24)18-9-11-19(30-4)12-10-18/h6,8-12,14-15,27-28H,5,7,13H2,1-4H3/b17-8+
InChIKey: InChIKey=RWUBJKHMUVFQCA-CAOOACKPSA-N
Formula: C26H28O5
Molecular Weight: 420.498499
Exact Mass: 420.193674
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ito, C., Itoigawa, M., Kanematsu, T., Ruangrungsi, N., Mukainaka, T., Tokuda, H., Nishino, H., Furukawa, H. Phytochemistry (2003) 64, 1265-8
Species:
Notes: Family : Flavonoids, Type : Isoflavonoids, Group : Isoflavones; 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 (CH) | 152.5 |
| 3 (C) | 123.3 |
| 4 (C) | 181.2 |
| 5 (C) | 160.9 |
| 6 (CH) | 99.8 |
| 7 (C) | 161 |
| 8 (C) | 104.9 |
| 9 (C) | 155 |
| 10 (C) | 106.3 |
| 1' (C) | 123 |
| 2' (CH) | 130.1 |
| 3' (CH) | 114.1 |
| 4' (C) | 159.8 |
| 5' (CH) | 114.1 |
| 6' (CH) | 130.1 |
| 1'' (CH2) | 21.6 |
| 2'' (CH) | 120.8 |
| 3'' (C) | 139 |
| 4'' (CH2) | 39.7 |
| 5'' (CH2) | 26.3 |
| 6'' (CH) | 123.6 |
| 7'' (C) | 132.2 |
| 8'' (CH3) | 25.7 |
| 9'' (CH3) | 17.7 |
| 10'' (CH3) | 16.3 |
| 4'a (CH3) | 55.4 |
