Spektraris NMR
Amphiacrolide I Acetate
Common Name: Amphiacrolide I Acetate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C23H32O7/c1-13-7-10-22-16(21(13,3)9-8-15-11-18(25)27-12-15)5-6-17-23(22,30-17)20(26-4)29-19(22)28-14(2)24/h11,13,16-17,19-20H,5-10,12H2,1-4H3/t13-,16-,17-,19?,20?,21+,22+,23+/m0/s1
InChIKey: InChIKey=YCGSZSFFXUTJDK-PJYLBGLZSA-N
Formula: C23H32O7
Molecular Weight: 420.496864
Exact Mass: 420.214803
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) | 17.73 |
| 2 (CH2) | 26.28 |
| 3 (CH) | 56.92 |
| 4 (C) | 68.57 |
| 5 (C) | 44.99 |
| 6 (CH2) | 20.5 |
| 7 (CH2) | 25.38 |
| 8 (CH) | 32.13 |
| 9 (C) | 37.84 |
| 10 (CH) | 39.63 |
| 11 (CH2) | 38.23 |
| 12 (CH2) | 23.57 |
| 13 (C) | 170.27 |
| 14 (CH) | 115.52 |
| 15 (C) | 173.85 |
| 16 (CH2) | 73.06 |
| 17 (CH3) | 16.34 |
| 18 (CH) | 101.07 |
| 19 (CH) | 104.64 |
| 20 (CH3) | 21.58 |
| 18a (C) | 170.04 |
| 18b (CH3) | 20.58 |
| 19a (CH3) | 56.67 |
