Spektraris NMR
Pterokaurane M2
Common Name: Pterokaurane M2
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O4/c1-11-13-4-5-15-19(3)9-12(22)8-18(2,10-21)14(19)6-7-20(15,16(11)23)17(13)24/h12-17,21-24H,1,4-10H2,2-3H3/t12-,13+,14-,15+,16+,17-,18-,19-,20-/m1/s1
InChIKey: InChIKey=CUGVUJOOXAEVRT-BASOQKIWSA-N
Formula: C20H32O4
Molecular Weight: 336.466442
Exact Mass: 336.23006
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) | 50.3 |
| 2 (CH) | 64.3 |
| 3 (CH2) | 46.1 |
| 4 (C) | 39.5 |
| 5 (CH) | 48.8 |
| 6 (CH2) | 19.2 |
| 7 (CH2) | 32.9 |
| 8 (C) | 52.8 |
| 9 (CH) | 56.7 |
| 10 (C) | 41.4 |
| 11 (CH2) | 18.3 |
| 12 (CH2) | 28.2 |
| 13 (CH) | 51.3 |
| 14 (CH) | 76.6 |
| 15 (CH) | 83.5 |
| 16 (C) | 160 |
| 17 (CH2) | 110.6 |
| 18 (CH2) | 71.4 |
| 19 (CH3) | 18.9 |
| 20 (CH3) | 19.7 |
