Spektraris NMR
Eleganolactone A
Common Name: Eleganolactone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H24O6/c1-9-6-7-14(23-11(3)20)19(5)8-13-15(10(2)18(22)25-13)17(16(9)19)24-12(4)21/h13-17H,1-2,6-8H2,3-5H3/t13-,14-,15+,16+,17-,19+/m0/s1
InChIKey: InChIKey=JBGDRCNWJFVVLR-NHDVRJRVSA-N
Formula: C19H24O6
Molecular Weight: 348.39099
Exact Mass: 348.157289
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Triana, J., Lopez, M., Rico, M., Gonzalez-Platas, J., Quintana, J., Estevez, F., Leon, F., Bermejo, J. J Nat Prod (2003) 66, 943-8
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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 (CH) | 71 |
| 2 (CH2) | 27.4 |
| 3 (CH2) | 29.4 |
| 4 (C) | 142.2 |
| 5 (CH) | 60 |
| 6 (CH) | 68.5 |
| 7 (CH) | 51.8 |
| 8 (CH) | 75.6 |
| 9 (CH2) | 37.5 |
| 10 (C) | 40.7 |
| 11 (C) | 136.6 |
| 12 (C) | 169.5 |
| 13 (CH2) | 119.4 |
| 14 (CH3) | 22.2 |
| 15 (CH2) | 115.3 |
| 1a (C) | 169.7 |
| 1b (CH3) | 20.6 |
| 6a (C) | 170.5 |
| 6b (CH3) | 21 |
