Spektraris NMR
2(4),13-Valparoladien-3-one
Common Name: 2(4),13-Valparoladien-3-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O/c1-13(2)16-7-11-20(5)17(16)8-10-19(4)9-6-15(14(3)21)12-18(19)20/h6-7,13,17-18H,8-12H2,1-5H3/t17-,18-,19+,20-/m1/s1
InChIKey: InChIKey=DWFGIHFTUFIDCC-YSTOQKLRSA-N
Formula: C20H30O1
Molecular Weight: 286.452345
Exact Mass: 286.229666
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. Phytochemistry (1993) 34, 747-50
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) | 42 |
| 2 (CH) | 139.1 |
| 3 (C) | 199.3 |
| 4 (C) | 139.4 |
| 5 (CH2) | 22.7 |
| 6 (CH) | 48 |
| 7 (C) | 47.5 |
| 8 (CH) | 51 |
| 9 (CH2) | 26.7 |
| 10 (CH2) | 46.5 |
| 11 (C) | 31.9 |
| 12 (CH2) | 42.1 |
| 13 (CH) | 117.8 |
| 14 (C) | 149 |
| 15 (CH) | 34.4 |
| 16 (CH3) | 23 |
| 17 (CH3) | 21.9 |
| 18 (CH3) | 19.5 |
| 19 (CH3) | 25.2 |
| 20 (CH3) | 20.9 |
