Spektraris NMR
4-epiJeunicin
Common Name: 4-epiJeunicin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O4/c1-12-7-5-9-13(2)17-18-15(14(3)19(22)23-18)11-16(21)20(4,24-17)10-6-8-12/h8,13,15-18,21H,3,5-7,9-11H2,1-2,4H3/b12-8+/t13-,15+,16-,17+,18-,20-/m1/s1
InChIKey: InChIKey=KNYONISSVBFRJH-QBFCQSESSA-N
Formula: C20H30O4
Molecular Weight: 334.45056
Exact Mass: 334.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Nieto, M.I., Gonzalez, N., Rodriguez, J., Kerr, R.G., Jimenez, C. Tetrahedron (2006) 62, 11747-54
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Cembranes; 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) | 38.3 |
| 2 (CH2) | 36.5 |
| 3 (CH) | 74.2 |
| 4 (C) | 80 |
| 5 (CH2) | 32.1 |
| 6 (CH2) | 23.7 |
| 7 (CH) | 126.4 |
| 8 (C) | 134.7 |
| 9 (CH2) | 40.3 |
| 10 (CH2) | 33.6 |
| 11 (CH2) | 21.5 |
| 12 (CH) | 35.5 |
| 13 (CH) | 75 |
| 14 (CH) | 79.2 |
| 15 (C) | 139.6 |
| 16 (C) | 169.9 |
| 17 (CH2) | 121.9 |
| 18 (CH3) | 21.5 |
| 19 (CH3) | 16.3 |
| 20 (CH3) | 14.2 |
