Spektraris NMR
Vitexilactone
Common Name: Vitexilactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O5/c1-14-11-17(27-15(2)23)19-20(3,4)8-6-9-21(19,5)22(14,25)10-7-16-12-18(24)26-13-16/h12,14,17,19,25H,6-11,13H2,1-5H3/t14-,17-,19+,21+,22-/m1/s1
InChIKey: InChIKey=FBWWXAGANVJTLU-HEXLTJKYSA-N
Formula: C22H34O5
Molecular Weight: 378.5032
Exact Mass: 378.240624
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Kiuchi, F., Matsuo, K., Ito, M., Qui, T.K., Honda, G. Chem Pharm Bull (2004) 52, 1492-4
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) | 33.8 |
| 2 (CH2) | 18.8 |
| 3 (CH2) | 43.8 |
| 4 (C) | 34.2 |
| 5 (CH) | 47.9 |
| 6 (CH) | 70 |
| 7 (CH2) | 36.2 |
| 8 (CH) | 32.3 |
| 9 (C) | 76.7 |
| 10 (C) | 44 |
| 11 (CH2) | 31.8 |
| 12 (CH2) | 25.6 |
| 13 (C) | 171.3 |
| 14 (CH) | 115.2 |
| 15 (C) | 174.3 |
| 16 (CH2) | 73.4 |
| 17 (CH3) | 16.3 |
| 18 (CH3) | 33.8 |
| 19 (CH3) | 23.9 |
| 20 (CH3) | 19.2 |
| 6a (C) | 170.7 |
| 6b (CH3) | 22.1 |
