Spektraris NMR
Assamene
Common Name: Assamene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H28O6/c1-6-12(5)19(25)18-21(27)13(9-8-11(3)4)20(26)17-14(15(23)7-2)10-16(24)28-22(17)18/h8,10,12,15,23,26-27H,6-7,9H2,1-5H3
InChIKey: InChIKey=LVYGPLHUPURZDF-UHFFFAOYSA-N
Formula: C22H28O6
Molecular Weight: 388.45496
Exact Mass: 388.188589
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bordoloi, M., Mohan, S., Barua, N.C., Dutta, S.C., Mathur, R.K., Ghosh, A.C. Phytochemistry (1997) 44, 939-42
Species:
Notes: Family : Chromans, Type : Coumarins, Group : 4-Propylcoumarins; 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) | 209.99 |
| 3 (CH) | 103.07 |
| 4 (C) | 102.03 |
| 5 (C) | 161.49 |
| 6 (C) | 103.93 |
| 7 (C) | 160.72 |
| 8 (C) | 151.29 |
| 9 (C) | 156.15 |
| 10 (C) | 120.16 |
| 1' (CH) | 71.88 |
| 2' (CH2) | 26.75 |
| 3' (CH3) | 11.65 |
| 6a (CH2) | 27.25 |
| 6b (CH) | 120.28 |
| 6c (C) | 133.73 |
| 6d (CH3) | 17.97 |
| 6e (CH3) | 25.61 |
| 8a (C) | 167.08 |
| 8b (CH) | 46.87 |
| 8c (CH2) | 26.53 |
| 8d (CH3) | 10.58 |
| 8ba (CH3) | 16.73 |
