Spektraris NMR
Burttinonedehydrate
Common Name: Burttinonedehydrate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H34O5/c1-15(2)6-8-17-10-19(11-18(26(17)30-5)9-7-16(3)4)23-14-22(29)25-21(28)12-20(27)13-24(25)31-23/h10-13,15-16,23,27-28H,6-9,14H2,1-5H3/t23-/m0/s1
InChIKey: InChIKey=RFKJQUJOBCMSTK-QHCPKHFHSA-N
Formula: C26H34O5
Molecular Weight: 426.546144
Exact Mass: 426.240624
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Yenesew, A., Irungu, B., Derese, S., Midiwo, J.O., Heydenreich, M., Peter, M.G. Phytochemistry (2003) 63, 445-8
Species:
Notes: Family : Flavonoids, Type : Flavonoids, Group : Flavanones; 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) | 79.5 |
| 3 (CH2) | 43.1 |
| 4 (C) | 196.5 |
| 5 (C) | 164.7 |
| 6 (CH) | 96.3 |
| 7 (C) | 166.9 |
| 8 (CH) | 95.3 |
| 9 (C) | 163.7 |
| 10 (C) | 102.6 |
| 1' (C) | 134.7 |
| 2' (CH) | 126.7 |
| 3' (C) | 136.4 |
| 4' (C) | 157 |
| 5' (C) | 136.4 |
| 6' (CH) | 126.7 |
| 1'' (CH2) | 28.3 |
| 2'' (CH2) | 28 |
| 3'' (CH) | 40.3 |
| 4'' (CH3) | 22.4 |
| 5'' (CH3) | 22.4 |
| 1''' (CH2) | 28.3 |
| 2''' (CH2) | 28 |
| 3''' (CH) | 40.3 |
| 4''' (CH3) | 22.4 |
| 5''' (CH3) | 22.4 |
| 4'a (CH3) | 60.1 |
