Spektraris NMR
Bacchariol
Common Name: Bacchariol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O6/c1-18(7-6-12-8-16(22)25-10-12)14-5-3-4-13-17(23)26-11-20(13,14)9-15(21)19(18,2)24/h4,8,14,24H,3,5-7,9-11H2,1-2H3/t14-,18-,19+,20-/m1/s1
InChIKey: InChIKey=GRUCAXMUJKCJPE-PPRPKMEESA-N
Formula: C20H24O6
Molecular Weight: 360.401726
Exact Mass: 360.157289
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Akaike, S., Sumino, M., Sekine, T., Seo, S., Kimura, N., Ikegami, F. Chem Pharm Bull (2003) 51, 197-9
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) | 20.6 |
| 2 (CH2) | 27.4 |
| 3 (CH) | 137.3 |
| 4 (C) | 136.1 |
| 5 (C) | 47.7 |
| 6 (CH2) | 45.4 |
| 7 (C) | 208.6 |
| 8 (C) | 82.6 |
| 9 (C) | 45.6 |
| 10 (CH) | 42.3 |
| 11 (CH2) | 34.3 |
| 12 (CH2) | 25 |
| 13 (C) | 170.9 |
| 14 (CH) | 114.7 |
| 15 (C) | 174 |
| 16 (CH2) | 73.2 |
| 17 (CH3) | 18.1 |
| 18 (C) | 168 |
| 19 (CH2) | 71 |
| 20 (CH3) | 19.7 |
