Spektraris NMR
20-O-Methylptychonal acetal
Common Name: 20-O-Methylptychonal acetal
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H30O3/c1-14-6-5-7-18-20(14,3)12-17-15(2)21(18,19(22-4)24-17)10-8-16-9-11-23-13-16/h6,9,11,13,15,17-19H,5,7-8,10,12H2,1-4H3/t15-,17-,18+,19+,20+,21-/m1/s1
InChIKey: InChIKey=MJUKJRODFNJMPC-PTDVTHDLSA-N
Formula: C21H30O3
Molecular Weight: 330.461891
Exact Mass: 330.219495
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tang, W., Hioki, H., Harada, K., Kubo, M., Fukuyama, Y. J Nat Prod (2008) 71, 1760-3
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Clerodanes; 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) | 18.6 |
| 2 (CH2) | 25.6 |
| 3 (CH) | 118.7 |
| 4 (C) | 146.3 |
| 5 (C) | 38.5 |
| 6 (CH2) | 40.6 |
| 7 (CH) | 84.1 |
| 8 (CH) | 46.6 |
| 9 (C) | 52.3 |
| 10 (CH) | 47.1 |
| 11 (CH2) | 26.8 |
| 12 (CH2) | 19.2 |
| 13 (C) | 125.3 |
| 14 (CH) | 110.9 |
| 15 (CH) | 142.7 |
| 16 (CH) | 138.5 |
| 17 (CH3) | 15.1 |
| 18 (CH3) | 18 |
| 19 (CH3) | 23.5 |
| 20 (CH) | 106 |
| 20a (CH3) | 55.4 |
