Spektraris NMR
2-Ketoamphiacrolide B
Common Name: 2-Ketoamphiacrolide B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O5/c1-12-3-6-20-11-25-18(23)15(20)8-14(21)9-16(20)19(12,2)5-4-13-7-17(22)24-10-13/h7-8,12,16H,3-6,9-11H2,1-2H3/t12-,16-,19+,20+/m0/s1
InChIKey: InChIKey=HSWJLFDPGUSERE-BBMNMQHQSA-N
Formula: C20H24O5
Molecular Weight: 344.402321
Exact Mass: 344.162374
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) | 38.42 |
| 2 (C) | 198.31 |
| 3 (CH) | 127.56 |
| 4 (C) | 153.64 |
| 5 (C) | 44.4 |
| 6 (CH2) | 24.61 |
| 7 (CH2) | 24.79 |
| 8 (CH) | 35 |
| 9 (C) | 38.21 |
| 10 (CH) | 45.51 |
| 11 (CH2) | 39.08 |
| 12 (CH2) | 23.8 |
| 13 (C) | 170.16 |
| 14 (CH) | 115.43 |
| 15 (C) | 173.91 |
| 16 (CH2) | 73.19 |
| 17 (CH3) | 17.9 |
| 18 (CH2) | 76.16 |
| 19 (C) | 168.6 |
| 20 (CH3) | 21.86 |
