Spektraris NMR
Deoxybuddlejone
Common Name: Deoxybuddlejone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O/c1-13(2)14-7-9-16-15(18(14)21)8-10-17-19(3,4)11-6-12-20(16,17)5/h7-9,13,17H,6,10-12H2,1-5H3/t17-,20+/m0/s1
InChIKey: InChIKey=LIYZCWXRVNEQMR-FXAWDEMLSA-N
Formula: C20H28O1
Molecular Weight: 284.436464
Exact Mass: 284.214016
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Mensah, A.Y., Houghton, P.J., Bloomfield, S., Vlietinck, A., Vanden Berghe, D. J Nat Prod (2000) 63, 1210-3
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 37.1 |
| 2 (CH2) | 19 |
| 3 (CH2) | 42.4 |
| 4 (C) | 33.6 |
| 5 (CH) | 52.9 |
| 6 (CH2) | 27.6 |
| 7 (CH) | 148.3 |
| 8 (C) | 140.6 |
| 9 (C) | 157.5 |
| 10 (C) | 36.7 |
| 11 (CH) | 117.9 |
| 12 (CH) | 143.2 |
| 13 (C) | 128.4 |
| 14 (C) | 201.7 |
| 15 (CH) | 36.9 |
| 16 (CH3) | 20.4 |
| 17 (CH3) | 20.3 |
| 18 (CH3) | 33.4 |
| 19 (CH3) | 22.4 |
| 20 (CH3) | 22 |
