Spektraris NMR
Triptonoterpene methyl ether
Common Name: Triptonoterpene methyl ether
Synonyms: Triptonoterpene methyl ether
CAS Registry Number:
InChI: InChI=1S/C21H30O3/c1-12(2)14-11-15(22)18-13(19(14)24-6)7-8-16-20(3,4)17(23)9-10-21(16,18)5/h11-12,16,22H,7-10H2,1-6H3/t16-,21-/m0/s1
InChIKey: InChIKey=SPNKZMRXBVCONG-KKSFZXQISA-N
Formula: C21H30O3
Molecular Weight: 330.461891
Exact Mass: 330.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Morota, T., Qin, W.Z., Takagi, K., Xu, L.H., Maruno, M., Yang, B.H. Phytochemistry (1995) 40, 865-70
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abietanes; 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) | 35.5 |
| 2 (CH2) | 34.6 |
| 3 (C) | 219.2 |
| 4 (C) | 47.2 |
| 5 (CH) | 52 |
| 6 (CH2) | 20 |
| 7 (CH2) | 26.5 |
| 8 (C) | 131.4 |
| 9 (C) | 131.2 |
| 10 (C) | 38.1 |
| 11 (C) | 148.5 |
| 12 (CH) | 111.8 |
| 13 (C) | 139.4 |
| 14 (C) | 150.6 |
| 15 (CH) | 26.1 |
| 16 (CH3) | 23.8 |
| 17 (CH3) | 23.7 |
| 18 (CH3) | 28.4 |
| 19 (CH3) | 20.5 |
| 20 (CH3) | 20 |
| 21 (CH3) | 60.7 |
