Spektraris NMR
Disparpropylinol B
Common Name: Disparpropylinol B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O6/c1-6-8-13-9-16(24)28-22-14(10-15(23)11(3)4)20(26)18(21(27)17(13)22)19(25)12(5)7-2/h9,12,15,23,26-27H,3,6-8,10H2,1-2,4-5H3
InChIKey: InChIKey=LMOOLBWPPNMVJY-UHFFFAOYSA-N
Formula: C22H28O6
Molecular Weight: 388.45496
Exact Mass: 388.188589
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Guilet D., Seraphin D., Rondeau D., Richomme P., Bruneton J. Phytochemistry (2001) 58, 571-5
Species:
Notes: Family : Flavonoids, Type : Neoflavonoids; 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) | 160.5 |
| 3 (CH) | 109.6 |
| 4 (C) | 160.1 |
| 5 (C) | 164.4 |
| 6 (C) | 107.4 |
| 7 (C) | 161.5 |
| 8 (C) | 104.6 |
| 9 (C) | 157.9 |
| 10 (C) | 103.2 |
| 1' (CH2) | 38.6 |
| 2' (CH2) | 22.8 |
| 3' (CH3) | 14 |
| 6a (C) | 212.7 |
| 6b (CH) | 46.6 |
| 6c (CH2) | 26.8 |
| 6d (CH3) | 11.9 |
| 6ba (CH3) | 16.6 |
| 8a (CH2) | 28.8 |
| 8b (CH) | 77.6 |
| 8c (C) | 146 |
| 8d (CH2) | 111 |
| 8e (CH3) | 18.7 |
