Spektraris NMR
Amphiacrolide N
Common Name: Amphiacrolide N
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O6/c1-12-5-8-19-14(3-4-15(21)20(19,24)11-26-17(19)23)18(12,2)7-6-13-9-16(22)25-10-13/h9,12,14-15,17,21,23-24H,3-8,10-11H2,1-2H3/t12-,14-,15+,17?,18+,19+,20-/m0/s1
InChIKey: InChIKey=IXIMUJVTRALEPX-GHCXMATKSA-N
Formula: C20H30O6
Molecular Weight: 366.44937
Exact Mass: 366.204239
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Harraz, F.M., Doskotch, R.W. J Nat Prod (1996) 59, 463-8
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 (CH2) | 25.15 |
| 2 (CH2) | 30.5 |
| 3 (CH) | 72.58 |
| 4 (C) | 85.06 |
| 5 (C) | 54.68 |
| 6 (CH2) | 17.28 |
| 7 (CH2) | 26.24 |
| 8 (CH) | 36.85 |
| 9 (C) | 39.18 |
| 10 (CH) | 40.29 |
| 11 (CH2) | 41.43 |
| 12 (CH2) | 23.67 |
| 13 (C) | 171.54 |
| 14 (CH) | 115.03 |
| 15 (C) | 174.75 |
| 16 (CH2) | 73.54 |
| 17 (CH3) | 17.58 |
| 18 (CH) | 104 |
| 19 (CH2) | 74.9 |
| 20 (CH3) | 23.74 |
