Spektraris NMR
Lupulone B
Common Name: Lupulone B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H34O4/c1-15(2)9-10-18-21(27)19(20(26)17(5)6)22(28)25(12-11-16(3)4)14-13-24(7,8)29-23(18)25/h9,11,13-14,17,27H,10,12H2,1-8H3
InChIKey: InChIKey=MJXCRNGPAMBYDU-UHFFFAOYSA-N
Formula: C25H34O4
Molecular Weight: 398.536003
Exact Mass: 398.24571
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) | 123.3 |
| 5 (C) | 193.4 |
| 6 (C) | 115.3 |
| 7 (C) | 190.2 |
| 8 (C) | 107.1 |
| 9 (C) | 167.9 |
| 10 (C) | 52.8 |
| 1' (CH2) | 44.5 |
| 2' (CH) | 117.4 |
| 3' (C) | 131.7 |
| 4' (CH3) | 17.7 |
| 5' (CH3) | 25.9 |
| 1'' (C) | 207.3 |
| 2'' (CH) | 35.3 |
| 3'' (CH3) | 18.5 |
| 4'' (CH3) | 19.3 |
| 1''' (CH2) | 21.2 |
| 2''' (CH) | 121.9 |
| 3''' (C) | 131 |
| 4''' (CH3) | 17.9 |
| 5''' (CH3) | 25.7 |
| 2a (CH3) | 28.7 |
| 2b (CH3) | 29.5 |
