Spektraris NMR
Deacetylfruticolone
Common Name: Deacetylfruticolone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O5/c1-13-9-16(23)20(11-21)17(15(22)4-7-19(20)12-25-19)18(13,2)6-3-14-5-8-24-10-14/h5,8,10,13,15,17,21-22H,3-4,6-7,9,11-12H2,1-2H3/t13-,15+,17-,18+,19+,20-/m1/s1
InChIKey: InChIKey=VGSNGCOAALEARN-TUKSYLFRSA-N
Formula: C20H28O5
Molecular Weight: 348.434084
Exact Mass: 348.193674
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Coll, J., Tandron, Y. Phytochemistry (2004) 65, 387-92
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) | 66.4 |
| 2 (CH2) | 34.2 |
| 3 (CH2) | 28.3 |
| 4 (C) | 62.2 |
| 5 (C) | 57 |
| 6 (C) | 208.5 |
| 7 (CH2) | 45.1 |
| 8 (CH) | 38.1 |
| 9 (C) | 39.8 |
| 10 (CH) | 51.8 |
| 11 (CH2) | 38.8 |
| 12 (CH2) | 18.2 |
| 13 (C) | 124.5 |
| 14 (CH) | 110.7 |
| 15 (CH) | 138.5 |
| 16 (CH) | 143 |
| 17 (CH3) | 15.5 |
| 18 (CH2) | 51.1 |
| 19 (CH2) | 64.45 |
| 20 (CH3) | 19.1 |
