Spektraris NMR
Agallochin F
Common Name: Agallochin F
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-12-8-18-9-13(12)4-5-15(18)19-6-7-20(22,23-11-19)17(2,3)16(19)14(21)10-18/h13-16,21-22H,1,4-11H2,2-3H3/t13-,14-,15-,16-,18-,19-,20+/m1/s1
InChIKey: InChIKey=IZKLRFJACWWWBZ-NCLNHVEOSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Anjaneyulu, A.S., Rao, V.L., Sreedhar, K. J Nat Prod (2002) 65, 382-5
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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 (CH2) | 35.7 |
| 2 (CH2) | 29.3 |
| 3 (C) | 98.7 |
| 4 (C) | 40.7 |
| 5 (CH) | 56.4 |
| 6 (CH) | 67.4 |
| 7 (CH2) | 48.5 |
| 8 (C) | 43.9 |
| 9 (CH) | 49.2 |
| 10 (C) | 38.8 |
| 11 (CH2) | 18.5 |
| 12 (CH2) | 32.8 |
| 13 (CH) | 43.2 |
| 14 (CH2) | 40.1 |
| 15 (CH2) | 47.9 |
| 16 (C) | 153.8 |
| 17 (CH2) | 104 |
| 18 (CH3) | 28.5 |
| 19 (CH3) | 17.5 |
| 20 (CH2) | 69.2 |
