Spektraris NMR
Amphiacrolide J
Common Name: Amphiacrolide J
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H32O6/c1-13-6-9-20-15(19(13,2)8-7-14-10-17(23)26-11-14)4-5-16(22)21(20,24)12-27-18(20)25-3/h10,13,15-16,18,22,24H,4-9,11-12H2,1-3H3/t13-,15-,16+,18-,19+,20+,21-/m0/s1
InChIKey: InChIKey=HUBVLTQWEFIATI-SZJWAJFPSA-N
Formula: C21H32O6
Molecular Weight: 380.475988
Exact Mass: 380.219889
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) | 25.08 |
| 2 (CH2) | 29.62 |
| 3 (CH) | 72.6 |
| 4 (C) | 84.42 |
| 5 (C) | 55.12 |
| 6 (CH2) | 17.18 |
| 7 (CH2) | 26.52 |
| 8 (CH) | 36.68 |
| 9 (C) | 39.35 |
| 10 (CH) | 40.66 |
| 11 (CH2) | 41.47 |
| 12 (CH2) | 23.66 |
| 13 (C) | 170.68 |
| 14 (CH) | 115.4 |
| 15 (C) | 174.04 |
| 16 (CH2) | 73.24 |
| 17 (CH3) | 17.48 |
| 18 (CH) | 110.74 |
| 19 (CH2) | 75.74 |
| 20 (CH3) | 23.31 |
| 18a (CH3) | 55.57 |
