Spektraris NMR
Lupulone C
Common Name: Lupulone C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H38O5/c1-15(2)9-11-26(12-10-16(3)4)23(28)18-14-20(25(7,8)30)31-22(18)21(24(26)29)19(27)13-17(5)6/h9-10,17,20,29-30H,11-14H2,1-8H3
InChIKey: InChIKey=HWYZDQMASKCQDN-UHFFFAOYSA-N
Formula: C26H38O5
Molecular Weight: 430.577907
Exact Mass: 430.271924
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, Group : Acylphloroglucinols; 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) | 92.3 |
| 3 (CH2) | 26.7 |
| 4 (C) | 205.8 |
| 5 (C) | 61.9 |
| 6 (C) | 191.9 |
| 7 (C) | 103.9 |
| 8 (C) | 169.5 |
| 9 (C) | 109.4 |
| 1' (C) | 71.9 |
| 2' (CH3) | 24.3 |
| 3' (CH3) | 25.2 |
| 1'' (CH2) | 37.7 |
| 2'' (CH) | 117.9 |
| 3'' (C) | 134.8 |
| 4'' (CH3) | 17.9 |
| 5'' (CH3) | 17.8 |
| 1''' (CH2) | 39.1 |
| 2''' (CH) | 118.2 |
| 3''' (C) | 134.8 |
| 4''' (CH3) | 17.9 |
| 5''' (CH3) | 17.8 |
| 1'''' (C) | 192.3 |
| 2'''' (CH2) | 45.8 |
| 3'''' (CH) | 27.7 |
| 4'''' (CH3) | 22.6 |
| 5'''' (CH3) | 22.5 |
