Spektraris NMR
Lupulone A
Common Name: Lupulone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H36O4/c1-16(2)9-10-19-22(28)21(20(27)15-18(5)6)23(29)26(12-11-17(3)4)14-13-25(7,8)30-24(19)26/h9,11,13-14,18,28H,10,12,15H2,1-8H3
InChIKey: InChIKey=WOAGFYGUGHOSMR-UHFFFAOYSA-N
Formula: C26H36O4
Molecular Weight: 412.56262
Exact Mass: 412.26136
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhao, F., Watanabe, Y., Nozawa, H., Daikonnya, A., Kondo, K., Kitanaka, S. J Nat Prod (2005) 68, 43-9
Species:
Notes: Family : Aromatics, Type : Phloroglucinols; 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) | 82.2 |
| 3 (CH) | 131.6 |
| 4 (CH) | 123.4 |
| 5 (C) | 193.6 |
| 6 (C) | 115.5 |
| 7 (C) | 190.1 |
| 8 (C) | 108.5 |
| 9 (C) | 167.8 |
| 10 (C) | 52.7 |
| 1' (CH2) | 44.5 |
| 2' (CH) | 117.3 |
| 3' (C) | 136.8 |
| 4' (CH3) | 17.7 |
| 5' (CH3) | 25.9 |
| 1'' (C) | 202.4 |
| 2'' (CH2) | 48 |
| 3'' (CH) | 25.7 |
| 4'' (CH3) | 22.7 |
| 5'' (CH3) | 22.8 |
| 1''' (CH2) | 21.2 |
| 2''' (CH) | 121.9 |
| 3''' (C) | 131.7 |
| 4''' (CH3) | 17.9 |
| 5''' (CH3) | 25.7 |
| 2a (CH3) | 28.7 |
| 2b (CH3) | 29.5 |
