Spektraris NMR
Lupulone E
Common Name: Lupulone E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H36O5/c1-14(2)9-10-17-21(27)19(20(26)16(5)6)22(28)25(12-11-15(3)4)13-18(24(7,8)29)30-23(17)25/h9,11,16,18,27,29H,10,12-13H2,1-8H3
InChIKey: InChIKey=AVOJMEPPTDIWFH-UHFFFAOYSA-N
Formula: C25H36O5
Molecular Weight: 416.551289
Exact Mass: 416.256274
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 (CH) | 90.4 |
| 3 (CH2) | 30.6 |
| 4 (C) | 195.7 |
| 5 (C) | 106.2 |
| 6 (C) | 192.7 |
| 7 (C) | 106.6 |
| 8 (C) | 174.7 |
| 9 (C) | 60.7 |
| 1' (C) | 71.2 |
| 2' (CH3) | 23.8 |
| 3' (CH3) | 26.7 |
| 1'' (CH2) | 38.5 |
| 2'' (CH) | 117.2 |
| 3'' (C) | 136.9 |
| 4'' (CH3) | 17.9 |
| 5'' (CH3) | 25.9 |
| 1''' (C) | 203.6 |
| 2''' (CH) | 34 |
| 3''' (CH3) | 19.8 |
| 4''' (CH3) | 18.6 |
| 1'''' (CH2) | 21.5 |
| 2'''' (CH) | 121.6 |
| 3'''' (C) | 132.1 |
| 4'''' (CH3) | 25.7 |
| 5'''' (CH3) | 17.8 |
