Spektraris NMR
Gaultheronoterpene
Common Name: Gaultheronoterpene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H22O3/c1-10-14-5-4-12-8-13(11(2)19)17(21)9-15(12)18(14,3)7-6-16(10)20/h8-9,14,16,20-21H,1,4-7H2,2-3H3/t14-,16-,18-/m0/s1
InChIKey: InChIKey=OGBRCYFPFAOGJS-ZVZYQTTQSA-N
Formula: C18H22O3
Molecular Weight: 286.366158
Exact Mass: 286.156895
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhang, Z., Guo, D., Li, C., Zheng, J., Koike, K., Jia, Z., Nikaido, T. J Nat Prod (1999) 62, 297-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Podocarpanes; 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) | 36.3 |
| 2 (CH2) | 29.2 |
| 3 (CH) | 72.8 |
| 4 (C) | 151.8 |
| 5 (CH) | 45.7 |
| 6 (CH2) | 21.3 |
| 7 (CH2) | 32.9 |
| 8 (C) | 125.7 |
| 9 (C) | 156.3 |
| 10 (C) | 39.9 |
| 11 (CH) | 114.9 |
| 12 (C) | 160.1 |
| 13 (C) | 117.9 |
| 14 (CH) | 131.3 |
| 15 (C) | 203.9 |
| 16 (CH3) | 26.5 |
| 18 (CH2) | 103.9 |
| 20 (CH3) | 22.5 |
