Spektraris NMR
Sawaradienone
Common Name: Sawaradienone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O4/c1-12(2)13-11-19(23)9-6-16-18(3,4)7-5-8-20(16,24)17(22)14(19)10-15(13)21/h10-12,16-17,22-24H,5-9H2,1-4H3/t16-,17-,19+,20+/m0/s1
InChIKey: InChIKey=YBAJPKZQERPGQH-RAUXBKROSA-N
Formula: C20H30O4
Molecular Weight: 334.45056
Exact Mass: 334.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Xiao, D., Kuroyanagi, M., Itani, T., Matsuura, H., Udayama, M., Murakami, M., Umehara, K., Kawahara, N. Chem Pharm Bull (2001) 49, 1479-81
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Icetexanes; 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) | 36.7 |
| 2 (CH2) | 18.2 |
| 3 (CH2) | 41.8 |
| 4 (C) | 34.7 |
| 5 (CH) | 54.8 |
| 6 (CH2) | 19.9 |
| 7 (CH2) | 40.6 |
| 8 (C) | 70.6 |
| 9 (C) | 162.8 |
| 10 (C) | 74.7 |
| 11 (CH) | 126.6 |
| 12 (C) | 186.2 |
| 13 (C) | 146.6 |
| 14 (CH) | 141.7 |
| 15 (CH) | 25.6 |
| 16 (CH3) | 21.3 |
| 17 (CH3) | 21.7 |
| 18 (CH3) | 32.2 |
| 19 (CH3) | 21.5 |
| 20 (CH) | 75.8 |
