Spektraris NMR
Coronarin E
Common Name: Coronarin E
Synonyms: Coronarin E
CAS Registry Number:
InChI: InChI=1S/C20H28O/c1-15-6-9-18-19(2,3)11-5-12-20(18,4)17(15)8-7-16-10-13-21-14-16/h7-8,10,13-14,17-18H,1,5-6,9,11-12H2,2-4H3/b8-7+/t17-,18-,20+/m0/s1
InChIKey: InChIKey=QXVXYNOIXUIXBI-NDLVVHCESA-N
Formula: C20H28O1
Molecular Weight: 284.436464
Exact Mass: 284.214016
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Villamizar, J., Fuentes, J., Salazar, F., Tropper, E., Alonso, R. J Nat Prod (2003) 66, 1623-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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 (CH2) | 40.74 |
| 2 (CH2) | 19.09 |
| 3 (CH2) | 42.27 |
| 4 (C) | 33.54 |
| 5 (CH) | 54.77 |
| 6 (CH2) | 23.35 |
| 7 (CH2) | 36.74 |
| 8 (C) | 150.22 |
| 9 (CH) | 61.44 |
| 10 (C) | 39.13 |
| 11 (CH) | 121.71 |
| 12 (CH) | 128.26 |
| 13 (C) | 124.47 |
| 14 (CH) | 107.61 |
| 15 (CH) | 139.59 |
| 16 (CH) | 143.25 |
| 17 (CH2) | 107.94 |
| 18 (CH3) | 33.54 |
| 19 (CH3) | 21.94 |
| 20 (CH3) | 14.99 |
