Spektraris NMR
Difuranofruticol
Common Name: Difuranofruticol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H24O3/c1-12-9-16-17-14(11-22-16)3-4-15(20)18(17)19(12,2)7-5-13-6-8-21-10-13/h6,8,10-12,15,18,20H,3-5,7,9H2,1-2H3/t12-,15+,18+,19+/m1/s1
InChIKey: InChIKey=JEUMEIXMPGRZHR-CPIREHHASA-N
Formula: C19H24O3
Molecular Weight: 300.392775
Exact Mass: 300.172545
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Coll, J., Tandron, Y. Phytochemistry (2005) 66, 2298-303
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 66.2 |
| 2 (CH2) | 31.5 |
| 3 (CH2) | 14 |
| 4 (C) | 119.1 |
| 5 (C) | 115.9 |
| 6 (C) | 148.4 |
| 7 (CH2) | 29.5 |
| 8 (CH) | 36.3 |
| 9 (C) | 38.8 |
| 10 (CH) | 42.2 |
| 11 (CH2) | 36.2 |
| 12 (CH2) | 18.2 |
| 13 (C) | 125.3 |
| 14 (CH) | 110.9 |
| 15 (CH) | 142.9 |
| 16 (CH) | 138.5 |
| 17 (CH3) | 14.7 |
| 18 (CH) | 135.7 |
| 20 (CH3) | 15.8 |
