Spektraris NMR
Isoeleganonal
Common Name: Isoeleganonal
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-16(2)14-20(22)15-19(5)11-7-9-17(3)8-6-10-18(4)12-13-21/h8,11-14H,6-7,9-10,15H2,1-5H3/b17-8+,18-12-,19-11+
InChIKey: InChIKey=GZUWIUZECLXLRW-IOBQTAGVSA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: C+C
MHz:
Calibration:
NMR references: 13C - Culioli, G., Daoudi, M., Ortalo-Magne, A., Valls, R., Piovetti, L. Phytochemistry (2001) 57, 529-35
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Phytanes; 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) | 190.2 |
| 2 (CH) | 128.8 |
| 3 (C) | 163.6 |
| 4 (CH2) | 32.6 |
| 5 (CH2) | 26.7 |
| 6 (CH) | 122.6 |
| 7 (C) | 136.2 |
| 8 (CH2) | 40 |
| 9 (CH2) | 26.5 |
| 10 (CH) | 122.6 |
| 11 (C) | 129.8 |
| 12 (CH2) | 55.4 |
| 13 (C) | 199.4 |
| 14 (CH) | 127.4 |
| 15 (C) | 155.4 |
| 16 (CH3) | 27.6 |
| 17 (CH3) | 20.8 |
| 18 (CH3) | 17.7 |
| 19 (CH3) | 16 |
| 20 (CH3) | 25.2 |
