Spektraris NMR
Amphiacrolide K
Common Name: Amphiacrolide K
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O4/c1-13-3-6-20-12-24-16(8-15(20)10-21)9-17(20)19(13,2)5-4-14-7-18(22)23-11-14/h7-8,13,16-17,21H,3-6,9-12H2,1-2H3/t13-,16-,17-,19+,20+/m0/s1
InChIKey: InChIKey=GDDRIFSPVYVEHI-PCOHPHRISA-N
Formula: C20H28O4
Molecular Weight: 332.434679
Exact Mass: 332.198759
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) | 29.86 |
| 2 (CH) | 67.12 |
| 3 (CH) | 128.47 |
| 4 (C) | 146.39 |
| 5 (C) | 39.07 |
| 6 (CH2) | 28.03 |
| 7 (CH2) | 28.89 |
| 8 (CH) | 36.88 |
| 9 (C) | 38.8 |
| 10 (CH) | 41.83 |
| 11 (CH2) | 34.12 |
| 12 (CH2) | 22.24 |
| 13 (C) | 170.84 |
| 14 (CH) | 115.3 |
| 15 (C) | 174.14 |
| 16 (CH2) | 73.16 |
| 17 (CH3) | 15.73 |
| 18 (CH2) | 75.31 |
| 19 (CH2) | 61.44 |
| 20 (CH3) | 15.76 |
