Spektraris NMR
Amphiacrolide I
Common Name: Amphiacrolide I
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O6/c1-12-6-9-20-14(19(12,2)8-7-13-10-16(22)25-11-13)4-5-15-21(20,27-15)18(24-3)26-17(20)23/h10,12,14-15,17-18,23H,4-9,11H2,1-3H3/t12-,14-,15-,17?,18?,19+,20+,21+/m0/s1
InChIKey: InChIKey=AQXXLNKIECRSCH-NGVUDGAJSA-N
Formula: C21H30O6
Molecular Weight: 378.460106
Exact Mass: 378.204239
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Harraz, F.M., Pcolinski, M.J., Doskotch, R.W. J Nat Prod (1996) 59, 5-14
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) | 18.05 |
| 2 (CH2) | 26.62 |
| 3 (CH) | 57.23 |
| 4 (C) | 69.61 |
| 5 (C) | 46.01 |
| 6 (CH2) | 20 |
| 7 (CH2) | 25.42 |
| 8 (CH) | 35.68 |
| 9 (C) | 37.52 |
| 10 (CH) | 37.76 |
| 11 (CH2) | 39.28 |
| 12 (CH2) | 23.77 |
| 13 (C) | 172.63 |
| 14 (CH) | 114.48 |
| 15 (C) | 174.88 |
| 16 (CH2) | 73.55 |
| 17 (CH3) | 16.98 |
| 18 (CH) | 103.16 |
| 19 (CH) | 104.64 |
| 20 (CH3) | 22.12 |
| 19a (CH3) | 56.1 |
