Spektraris NMR
2,2-Dimethoxy-2,3-seco-15-valparen-3-one
Common Name: 2,2-Dimethoxy-2,3-seco-15-valparen-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H38O3/c1-15(2)17-10-13-22(5)18(17)11-12-21(4,14-20(24-6)25-7)19(22)9-8-16(3)23/h17-20H,1,8-14H2,2-7H3/t17-,18+,19+,21+,22+/m0/s1
InChIKey: InChIKey=SFHOQLVZWUNZEX-LDNJSWSKSA-N
Formula: C22H38O3
Molecular Weight: 350.536153
Exact Mass: 350.282095
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Urones, J.G., Marcos, I.S., Basabe, P., Alonso, C., Oliva, I.M., Garrido, N.M., Martin, D.D., Lithgow, A.M. Tetrahedron (1993) 34, 4051-62
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Valparanes; 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) | 46.3 |
| 2 (CH) | 102.6 |
| 3 (C) | 208.9 |
| 4 (CH2) | 42.9 |
| 5 (CH2) | 21.5 |
| 6 (CH) | 56.7 |
| 7 (C) | 46.2 |
| 8 (CH) | 55.1 |
| 9 (CH2) | 21.3 |
| 10 (CH2) | 45.7 |
| 11 (C) | 37.2 |
| 12 (CH2) | 40.6 |
| 13 (CH2) | 27.5 |
| 14 (CH) | 45.7 |
| 15 (C) | 148.1 |
| 16 (CH2) | 110.5 |
| 17 (CH3) | 24.9 |
| 18 (CH3) | 18.5 |
| 19 (CH3) | 29.8 |
| 20 (CH3) | 21.7 |
| 2a (CH3) | 52.4 |
| 2b (CH3) | 52.1 |
