Spektraris NMR
Amphiacrolide E
Common Name: Amphiacrolide E
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O6/c1-4-25-19-22-16(28-22)6-5-15-20(3,9-8-14-11-17(23)26-12-14)13(2)7-10-21(15,22)18(24)27-19/h11,13,15-16,18-19,24H,4-10,12H2,1-3H3/t13-,15-,16-,18?,19?,20+,21+,22+/m0/s1
InChIKey: InChIKey=GALXSFGZZJTUQH-ZELFMUPDSA-N
Formula: C22H32O6
Molecular Weight: 392.486723
Exact Mass: 392.219889
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) | 18.1 |
| 2 (CH2) | 26.65 |
| 3 (CH) | 57.4 |
| 4 (C) | 69.55 |
| 5 (C) | 46.25 |
| 6 (CH2) | 20.13 |
| 7 (CH2) | 25.53 |
| 8 (CH) | 35.48 |
| 9 (C) | 37.7 |
| 10 (CH) | 37.98 |
| 11 (CH2) | 39.46 |
| 12 (CH2) | 23.8 |
| 13 (C) | 172.29 |
| 14 (CH) | 114.89 |
| 15 (C) | 174.69 |
| 16 (CH2) | 73.47 |
| 17 (CH3) | 16.94 |
| 18 (CH) | 103.47 |
| 19 (CH) | 103.82 |
| 20 (CH3) | 21.92 |
| 19a (CH2) | 64.98 |
| 19b (CH3) | 15.33 |
