Spektraris NMR
Buddlejone
Common Name: Buddlejone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H28O2/c1-12(2)13-7-8-14-17(18(13)22)15(21)11-16-19(3,4)9-6-10-20(14,16)5/h7-8,12,16,21H,6,9-11H2,1-5H3/t16-,20+/m0/s1
InChIKey: InChIKey=DKSUDZCPGGAVMB-OXJNMPFZSA-N
Formula: C20H28O2
Molecular Weight: 300.435869
Exact Mass: 300.20893
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Houghton, P.J., Woldemariam, T.Z., Candau, M., Barnardo, A., KhenAlafun, O., Li, S.X. Phytochemistry (1996) 42, 485-8
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) | 37.3 |
| 2 (CH2) | 19.1 |
| 3 (CH2) | 42 |
| 4 (C) | 33.6 |
| 5 (CH) | 53.1 |
| 6 (CH2) | 32.4 |
| 7 (C) | 189.1 |
| 8 (C) | 119.2 |
| 9 (C) | 167.6 |
| 10 (CH) | 36.9 |
| 11 (CH) | 116.2 |
| 12 (C) | 135.9 |
| 13 (C) | 120.9 |
| 14 (C) | 195.2 |
| 15 (CH) | 33.9 |
| 16 (CH3) | 21.1 |
| 17 (CH3) | 20.8 |
| 18 (CH3) | 33.3 |
| 19 (CH3) | 21.9 |
| 20 (CH3) | 22.1 |
