Spektraris NMR
(+)-Bornyl caffeate
Common Name: (+)-Bornyl caffeate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H24O3/c1-18(2)13-8-9-19(18,3)14(11-13)15(20)6-4-12-5-7-16(21)17(22)10-12/h4-7,10,13-14,21-22H,8-9,11H2,1-3H3/b6-4+/t13-,14?,19-/m1/s1
InChIKey: InChIKey=JHMGWODKYGETRD-SRFAMYBQSA-N
Formula: C19H24O3
Molecular Weight: 300.392775
Exact Mass: 300.172545
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, Y.C., Liao, C.H., Chen, I.S. Phytochemistry (2007) 68, 2101-11
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Camphanes; 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) | 48.9 |
| 2 (CH) | 80.4 |
| 3 (CH2) | 36.8 |
| 4 (CH) | 44.9 |
| 5 (CH2) | 28 |
| 6 (CH2) | 27.2 |
| 7 (C) | 47.9 |
| 8 (CH3) | 19.7 |
| 9 (CH3) | 18.9 |
| 10 (CH3) | 13.5 |
| 1' (C) | 168.4 |
| 2' (CH) | 115.4 |
| 3' (CH) | 143.9 |
| 4' (C) | 127.5 |
| 5' (CH) | 116 |
| 6' (C) | 144.7 |
| 7' (C) | 146.5 |
| 8' (CH) | 114.5 |
| 9' (CH) | 122.3 |
