Spektraris NMR
puupehenone
Common Name: puupehenone
Synonyms: puupehenone
CAS Registry Number:
InChI: InChI=1S/C21H28O3/c1-19(2)7-5-8-20(3)17(19)6-9-21(4)18(20)11-13-10-14(22)15(23)12-16(13)24-21/h10-12,17-18,22H,5-9H2,1-4H3/t17-,18+,20-,21-/m0/s1
InChIKey: InChIKey=LOCMLXSTDCXZFJ-YHELAOLJSA-N
Formula: C21H28O3
Molecular Weight: 328.44601
Exact Mass: 328.203845
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Pina, I.C., Sanders, M.L., Crews, P. J Nat Prod (2003) 66, 2-6
Species:
Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Drimanes; 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) | 40 |
| 2 (CH2) | 18.1 |
| 3 (CH2) | 40.7 |
| 4 (C) | 33.3 |
| 5 (CH) | 53.8 |
| 6 (CH2) | 18.4 |
| 7 (CH2) | 39.2 |
| 8 (C) | 78.8 |
| 9 (CH) | 54.8 |
| 10 (C) | 41.6 |
| 11 (CH) | 140.4 |
| 12 (CH3) | 28 |
| 13 (CH3) | 33.7 |
| 14 (CH3) | 21.9 |
| 15 (CH3) | 15 |
| 1' (C) | 129.3 |
| 2' (C) | 162.8 |
| 3' (CH) | 105.1 |
| 4' (C) | 182 |
| 5' (C) | 147.5 |
| 6' (CH) | 106.1 |
