Spektraris NMR
4a-Acetyldictyodial
Common Name: 4a-Acetyldictyodial
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H32O4/c1-15(2)8-6-10-17(4)22-20(14-24)19(13-23)11-7-9-16(3)12-21(22)26-18(5)25/h8-9,11,13-14,17,20-22H,6-7,10,12H2,1-5H3/b16-9+,19-11-/t17?,20-,21+,22+/m0/s1
InChIKey: InChIKey=BRAYWWGCSCTEOS-KADSZPQDSA-N
Formula: C22H32O4
Molecular Weight: 360.487914
Exact Mass: 360.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Siamopoulou, P., Bimplakis, A., Iliopoulou, D., Vagias, C., Cos, P., Vanden Berghe, D., Roussis, V. Phytochemistry (2004) 65, 2025-30
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Xenicanes; 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 (C) | 150.1 |
| 2 (CH) | 51.1 |
| 4 (CH) | 48.8 |
| 4 (CH) | 76.2 |
| 5 (CH2) | 44.9 |
| 6 (C) | 135.9 |
| 7 (CH) | 126.5 |
| 8 (CH2) | 29.4 |
| 9 (CH) | 156.7 |
| 10 (CH) | 32.9 |
| 11 (CH2) | 38.4 |
| 12 (CH2) | 25.8 |
| 13 (CH) | 124.2 |
| 14 (C) | 131.7 |
| 15 (CH3) | 17.7 |
| 16 (CH3) | 25.6 |
| 17 (CH3) | 17.6 |
| 18 (CH) | 203.1 |
| 19 (CH) | 194.2 |
| 20 (CH3) | 21.2 |
| 4a (C) | 169.7 |
| 4b (CH3) | 19.8 |
