Spektraris NMR
Populene C
Common Name: Populene C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H20O3/c1-9-7-13-14(11(3)8-21-18(13,4)5)12-6-10(2)16(19)17(20)15(9)12/h6-7,11H,8H2,1-5H3
InChIKey: InChIKey=LKKQCDCZGYUJTA-UHFFFAOYSA-N
Formula: C18H20O3
Molecular Weight: 284.350276
Exact Mass: 284.141245
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Boonsri, S., Karalai, C., Ponglimanont, C., Chantrapromma, S., Kanjana-opas, A. J Nat Prod (2008) 71, 1173-7
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cadalenes; 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 (C) | 133.1 |
| 2 (C) | 181.7 |
| 3 (C) | 181.6 |
| 4 (C) | 135.8 |
| 5 (CH) | 137.3 |
| 6 (C) | 128.4 |
| 7 (C) | 135.8 |
| 8 (C) | 150.1 |
| 9 (CH) | 131.2 |
| 10 (C) | 142.6 |
| 11 (CH) | 29.9 |
| 12 (CH2) | 64.9 |
| 13 (CH3) | 21.2 |
| 14 (CH3) | 16 |
| 15 (CH3) | 23 |
| 1' (C) | 74.9 |
| 2' (CH3) | 31.3 |
| 3' (CH3) | 27.8 |
