Spektraris NMR
Deoxyfruticin
Common Name: Deoxyfruticin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O6/c1-6-11(2)18(22)26-16-10-20(5,24)8-7-14(21)12(3)9-15-17(16)13(4)19(23)25-15/h6-9,14-17,21,24H,4,10H2,1-3,5H3/b8-7+,11-6-,12-9-/t14-,15+,16-,17-,20-/m0/s1
InChIKey: InChIKey=QUQPZVOBOIBITF-VPWGOQBNSA-N
Formula: C20H26O6
Molecular Weight: 362.417607
Exact Mass: 362.172939
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Herz, W., Sharma, R.P. J Org Chem (1975) 40, 3118
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Germacranes; 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) | 131.9 |
| 2 (CH) | 130.5 |
| 3 (CH) | 72.9 |
| 4 (C) | 146.8 |
| 5 (CH) | 125.9 |
| 6 (CH) | 73.9 |
| 7 (CH) | 51.3 |
| 8 (CH) | 68.9 |
| 9 (CH2) | 43.8 |
| 10 (C) | 70.8 |
| 11 (C) | 135.5 |
| 12 (C) | 168 |
| 13 (CH2) | 122.6 |
| 14 (CH3) | 29.5 |
| 15 (CH3) | 25.1 |
| 8a (C) | 169.4 |
| 8b (C) | 127.1 |
| 8c (CH) | 140.7 |
| 8d (CH3) | 15.9 |
| 8e (CH3) | 20.4 |
