Spektraris NMR
Lupulone D
Common Name: Lupulone D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C26H38O5/c1-15(2)9-10-18-22(28)21(19(27)13-17(5)6)23(29)26(12-11-16(3)4)14-20(25(7,8)30)31-24(18)26/h9,11,17,20,28,30H,10,12-14H2,1-8H3
InChIKey: InChIKey=UFNSPVPZCKZBHN-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; 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) | 30.7 |
| 4 (C) | 195.8 |
| 5 (C) | 107.8 |
| 6 (C) | 192.7 |
| 7 (C) | 106.8 |
| 8 (C) | 174.7 |
| 9 (C) | 60.5 |
| 1' (C) | 71.2 |
| 2' (CH3) | 23.7 |
| 3' (CH3) | 26.8 |
| 1'' (CH2) | 38.7 |
| 2'' (CH) | 117.1 |
| 3'' (C) | 137 |
| 4'' (CH3) | 17.8 |
| 5'' (CH3) | 25.9 |
| 1''' (C) | 198.6 |
| 2''' (CH2) | 46.1 |
| 3''' (CH) | 26.6 |
| 4''' (CH3) | 22.9 |
| 5''' (CH3) | 22.5 |
| 1'''' (CH2) | 21.5 |
| 2'''' (CH) | 121.6 |
| 3'''' (C) | 132.1 |
| 4'''' (CH3) | 25.7 |
| 5'''' (CH3) | 17.9 |
