Spektraris NMR
Botrydienal
Common Name: Botrydienal
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O2/c1-10-5-6-12-13(11(10)7-16)15(4,9-17)8-14(12,2)3/h6-7,9-10H,5,8H2,1-4H3/t10-,15-/m1/s1
InChIKey: InChIKey=CFAMAVBUWMXYLX-MEBBXXQBSA-N
Formula: C15H20O2
Molecular Weight: 232.318663
Exact Mass: 232.14633
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Collado, I.G., Aleu, J., Hernandez-Galan, R., Duran-Patron, R., Curr Org Chem (2000) 4, 1261-86
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Botryanes; 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) | 135.7 |
| 2 (CH) | 24.2 |
| 3 (CH2) | 30.5 |
| 4 (CH) | 123.5 |
| 5 (C) | 149.2 |
| 6 (C) | 40.4 |
| 7 (CH2) | 50.4 |
| 8 (C) | 56.3 |
| 9 (C) | 154.9 |
| 10 (CH) | 189.5 |
| 11 (CH3) | 18.3 |
| 12 (CH3) | 28.7 |
| 13 (CH3) | 25.3 |
| 14 (CH3) | 30.5 |
| 15 (CH) | 199.5 |
