Spektraris NMR
Agallochaols A
Common Name: Agallochaols A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O3/c1-6-19(4)11-13(21)16-12(17(19)23)7-8-14-18(2,3)15(22)9-10-20(14,16)5/h6,14-15,17,22-23H,1,7-11H2,2-5H3/t14-,15+,17+,19-,20-/m1/s1
InChIKey: InChIKey=WRCBUXMBCDBTPF-IBMXSDLOSA-N
Formula: C20H30O3
Molecular Weight: 318.451155
Exact Mass: 318.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wang, J.D., Guo, Y.W. Helv Chim Acta (2004) 87, 2829-33
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Isopimaranes; 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) | 28.6 |
| 2 (CH2) | 25.8 |
| 3 (CH) | 75.4 |
| 4 (C) | 37.6 |
| 5 (CH) | 45 |
| 6 (CH2) | 17.4 |
| 7 (CH2) | 31.4 |
| 8 (C) | 153.8 |
| 9 (C) | 142.6 |
| 10 (C) | 37.4 |
| 11 (C) | 197.1 |
| 12 (CH2) | 47.2 |
| 13 (C) | 43.5 |
| 14 (CH) | 76.6 |
| 15 (CH) | 140.8 |
| 16 (CH2) | 116.3 |
| 17 (CH3) | 23.5 |
| 18 (CH3) | 28.2 |
| 19 (CH3) | 22.3 |
| 20 (CH3) | 19.4 |
