Spektraris NMR
Bifurcane
Common Name: Bifurcane
Synonyms: Bifurcane
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-16(2)13-20(21)14-18(4)9-5-7-17(3)8-6-10-19-11-12-22-15-19/h8-9,11-13,15,20-21H,5-7,10,14H2,1-4H3/b17-8+,18-9+/t20-/m1/s1
InChIKey: InChIKey=LPNXXVJSERXFHP-ZHHWLGTCSA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Valls, R., Piovetti, L., Banaigs, B., Archavlis, A., Pellegrini, M. Phytochemistry (1995) 39, 145-9
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) | 142.5 |
| 2 (CH) | 111.1 |
| 3 (C) | 125 |
| 4 (CH2) | 25 |
| 5 (CH2) | 28.4 |
| 6 (CH) | 124.2 |
| 7 (C) | 134.9 |
| 8 (CH2) | 39.5 |
| 9 (CH2) | 26.4 |
| 10 (CH) | 127.5 |
| 11 (C) | 131.7 |
| 12 (CH2) | 48.2 |
| 13 (CH) | 65.6 |
| 14 (CH) | 128.5 |
| 15 (C) | 135.5 |
| 16 (CH3) | 25.8 |
| 17 (CH3) | 18.2 |
| 18 (CH3) | 16.2 |
| 19 (CH3) | 15.9 |
| 20 (CH) | 138.9 |
