Spektraris NMR
Valpara-3,15-diene-2-one
Common Name: Valpara-3,15-diene-2-one
Synonyms: Valpara-3,15-diene-2-one
CAS Registry Number:
InChI: InChI=1S/C20H30O/c1-13(2)15-8-11-20(5)16(15)9-10-19(4)12-17(21)14(3)6-7-18(19)20/h6,15-16,18H,1,7-12H2,2-5H3/t15-,16+,18+,19+,20+/m0/s1
InChIKey: InChIKey=DCHGRBFVASHMBH-APQLOABGSA-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) | 61.9 |
| 2 (C) | 204.2 |
| 3 (C) | 138.2 |
| 4 (CH) | 139.9 |
| 5 (CH2) | 29.7 |
| 6 (CH) | 58.1 |
| 7 (C) | 46.3 |
| 8 (CH) | 55 |
| 9 (CH2) | 21.8 |
| 10 (CH2) | 43.4 |
| 11 (C) | 36.5 |
| 12 (CH2) | 41.4 |
| 13 (CH2) | 27.3 |
| 14 (CH) | 46.3 |
| 15 (C) | 148.1 |
| 16 (CH2) | 110.4 |
| 17 (CH3) | 25 |
| 18 (CH3) | 16.2 |
| 19 (CH3) | 20 |
| 20 (CH3) | 21.7 |
