Spektraris NMR
Deacetyldihydrobotrydienal
Common Name: Deacetyldihydrobotrydienal
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H26O4/c1-8-5-9(16)11-13(2,3)6-14(4)7-19-12(17)10(8)15(11,14)18/h8-12,16-18H,5-7H2,1-4H3/t8-,9+,10-,11+,12+,14-,15-/m1/s1
InChIKey: InChIKey=JYJJFWOZMROYNH-LAUPGICLSA-N
Formula: C15H26O4
Molecular Weight: 270.365118
Exact Mass: 270.183109
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 (CH) | 57.3 |
| 2 (CH) | 30.1 |
| 3 (CH2) | 46 |
| 4 (CH) | 70.3 |
| 5 (CH) | 64.9 |
| 6 (C) | 39.8 |
| 7 (CH2) | 51.8 |
| 8 (C) | 46.5 |
| 9 (C) | 84.7 |
| 10 (CH) | 93.3 |
| 11 (CH3) | 20.6 |
| 12 (CH3) | 36.5 |
| 13 (CH3) | 27.9 |
| 14 (CH3) | 26 |
| 15 (CH2) | 68.4 |
