Spektraris NMR
Oboflavanone A
Common Name: Oboflavanone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C34H34O7/c1-2-38-30(36)15-9-14-25-18-24-21-34(40-25,17-16-22-10-5-3-6-11-22)41-29-20-28-32(33(37)31(24)29)26(35)19-27(39-28)23-12-7-4-8-13-23/h3-8,10-13,16-17,20,24-25,27,37H,2,9,14-15,18-19,21H2,1H3/b17-16+/t24-,25+,27-,34-/m0/s1
InChIKey: InChIKey=PBUGPZVNGOXMPZ-VFHLZPPPSA-N
Formula: C34H34O7
Molecular Weight: 554.630841
Exact Mass: 554.230453
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Dumontet, V., Van Hung, N., Adeline, M.T., Riche, C., Chiaroni, A., Sevenet, T., Gueritte, F. J Nat Prod (2004) 67, 858-62
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) | 79.2 |
| 3 (CH2) | 43.7 |
| 4 (C) | 196.2 |
| 5 (C) | 164.1 |
| 6 (C) | 106.6 |
| 7 (C) | 161 |
| 8 (CH) | 95.2 |
| 9 (C) | 160 |
| 10 (C) | 103 |
| 1' (C) | 138.6 |
| 2' (CH) | 126.2 |
| 3' (CH) | 129 |
| 4' (CH) | 129 |
| 5' (CH) | 129 |
| 6' (CH) | 126.2 |
| 2'' (C) | 98.8 |
| 3'' (CH2) | 33.9 |
| 4'' (CH) | 22.8 |
| 1''' (CH2) | 35.2 |
| 2''' (CH) | 70 |
| 3''' (CH2) | 35.3 |
| 4''' (CH2) | 21 |
| 5''' (CH2) | 34.3 |
| 6''' (C) | 173.6 |
| 7''' (CH2) | 60.3 |
| 8''' (CH3) | 14.4 |
| 1'''' (CH) | 129.3 |
| 2'''' (CH) | 131.2 |
| 3'''' (C) | 136.1 |
| 4'''' (CH) | 127 |
| 5'''' (CH) | 128.7 |
| 6'''' (CH) | 128.3 |
| 7'''' (CH) | 128.7 |
| 8'''' (CH) | 127 |
