Spektraris NMR
Luffariolides J
Common Name: Luffariolides J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C25H36O5/c1-17(10-12-21-18(2)8-6-14-25(21,3)4)7-5-9-19(16-26)11-13-22(27)20-15-23(28)30-24(20)29/h7-8,11,15-16,21-22,24,27,29H,5-6,9-10,12-14H2,1-4H3/b17-7+,19-11+/t21?,22-,24?/m1/s1
InChIKey: InChIKey=XJKDZNIKFFJKMU-NTYOWSNNSA-N
Formula: C25H36O5
Molecular Weight: 416.551289
Exact Mass: 416.256274
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tsuda, M., Endo, T., Mikami, Y., Fromont, J., Kobayashi, J. J Nat Prod (2002) 65, 1507-8
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Monocarbocyclics; 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 |
|---|---|
| 1 (C) | 170.4 |
| 2 (CH) | 118.3 |
| 3 (C) | 169.3 |
| 4 (CH) | 66.4 |
| 5 (CH2) | 24.4 |
| 6 (CH) | 145.6 |
| 7 (C) | 148.3 |
| 8 (CH2) | 34.3 |
| 9 (CH2) | 26.8 |
| 10 (CH) | 122.7 |
| 11 (C) | 136.8 |
| 12 (CH2) | 40.5 |
| 13 (CH2) | 29.8 |
| 14 (CH) | 49 |
| 15 (C) | 137.3 |
| 16 (CH) | 120 |
| 17 (CH2) | 23 |
| 18 (CH2) | 31.6 |
| 19 (C) | 32.5 |
| 20 (CH3) | 27.4 |
| 21 (CH3) | 27.5 |
| 22 (CH3) | 23.5 |
| 23 (CH3) | 16.1 |
| 24 (CH) | 195.3 |
| 25 (CH) | 98 |
