Spektraris NMR
Pterokaurane M3
Common Name: Pterokaurane M3
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H34O4/c1-17(2)7-13(22)8-18(3)15-5-4-12-6-19(15,9-14(23)16(17)18)10-20(12,24)11-21/h12-16,21-24H,4-11H2,1-3H3/t12-,13-,14-,15+,16-,18+,19-,20+/m1/s1
InChIKey: InChIKey=KNCLQQIOJPEOIX-NHIWDXHTSA-N
Formula: C20H34O4
Molecular Weight: 338.482323
Exact Mass: 338.24571
NMR Solvent: C5D5N
MHz:
Calibration:
NMR references: 13C - Ge, X., Ye, G., Li, P., Tang, W.J., Gao, J.L., Zhao, W.M. J Nat Prod (2008) 71, 227-31
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Kauranes; 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) | 50.5 |
| 2 (CH) | 63.8 |
| 3 (CH2) | 54.8 |
| 4 (C) | 36.2 |
| 5 (CH) | 60.9 |
| 6 (CH) | 68.3 |
| 7 (CH2) | 38.7 |
| 8 (C) | 45.1 |
| 9 (CH) | 56.7 |
| 10 (C) | 43.1 |
| 11 (CH2) | 18.8 |
| 12 (CH2) | 26.8 |
| 13 (CH) | 46.2 |
| 14 (CH2) | 54 |
| 15 (CH2) | 54.3 |
| 16 (C) | 81.3 |
| 17 (CH2) | 66.4 |
| 18 (CH3) | 37.8 |
| 19 (CH3) | 23.2 |
| 20 (CH3) | 20.1 |
