Spektraris NMR
Deacetylvitexilactone
Common Name: Deacetylvitexilactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O4/c1-13-10-15(21)17-18(2,3)7-5-8-19(17,4)20(13,23)9-6-14-11-16(22)24-12-14/h11,13,15,17,21,23H,5-10,12H2,1-4H3/t13-,15-,17+,19+,20-/m1/s1
InChIKey: InChIKey=DCNLUKIGAMIKOK-YJLWDSPXSA-N
Formula: C20H32O4
Molecular Weight: 336.466442
Exact Mass: 336.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Rigano, D., Grassia, A., Bruno, M., Rosselli, S., Piozzi, F., Formisano, C., Arnold, N.A., Senatore, F. J Nat Prod (2006) 69, 836-8
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Labdanes; 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) | 34.3 |
| 2 (CH2) | 18.6 |
| 3 (CH2) | 43.7 |
| 4 (C) | 34.8 |
| 5 (CH) | 48.8 |
| 6 (CH) | 67.3 |
| 7 (CH2) | 40.2 |
| 8 (CH) | 31.3 |
| 9 (C) | 75.9 |
| 10 (C) | 43.6 |
| 11 (CH2) | 31.7 |
| 12 (CH2) | 25.4 |
| 13 (C) | 171.3 |
| 14 (CH) | 114.9 |
| 15 (C) | 174.1 |
| 16 (CH2) | 73.2 |
| 17 (CH3) | 16.2 |
| 18 (CH3) | 33.8 |
| 19 (CH3) | 24.6 |
| 20 (CH3) | 19.4 |
