Spektraris NMR
Dehydrobuddledin A
Common Name: Dehydrobuddledin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H26O3/c1-10-7-6-8-11(2)15(19)16(20-12(3)18)14-13(10)9-17(14,4)5/h11,13-14,16H,1,6-9H2,2-5H3/t11?,13-,14+,16+/m1/s1
InChIKey: InChIKey=DTCQYLMDRIDPGV-RWFRDUSQSA-N
Formula: C17H26O3
Molecular Weight: 278.387185
Exact Mass: 278.188195
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Gutierrez, R.M.P., Rangel, R.F., Baez, E.G. Chem Nat Compd (2008) 44, 35-8
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Caryophyllanes; 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) | 56.9 |
| 2 (CH) | 80.1 |
| 3 (C) | 197.1 |
| 4 (CH) | 43.9 |
| 5 (CH2) | 30.4 |
| 6 (CH2) | 27 |
| 7 (CH2) | 31.8 |
| 8 (C) | 157.8 |
| 9 (CH) | 39.4 |
| 10 (CH2) | 32.4 |
| 11 (C) | 33.9 |
| 12 (CH3) | 35 |
| 13 (CH3) | 20.6 |
| 14 (CH3) | 14.3 |
| 15 (CH2) | 115.7 |
| 2a (C) | 170.4 |
| 2b (CH3) | 30.4 |
