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: CDCl3
MHz:
Calibration:
NMR references: 13C - Hoberg, E., Orjala, J., Meier, B., Sticher, O. Phytochemistry (1999) 52, 1555-8
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) | 33.5 |
| 2 (CH2) | 18.5 |
| 3 (CH2) | 43.5 |
| 4 (C) | 33.9 |
| 5 (CH) | 47.6 |
| 6 (CH) | 69.6 |
| 7 (CH2) | 35.9 |
| 8 (CH) | 32 |
| 9 (C) | 77.1 |
| 10 (C) | 43.7 |
| 11 (CH2) | 31.5 |
| 12 (CH2) | 25.3 |
| 13 (C) | 170.9 |
| 14 (CH) | 115 |
| 15 (C) | 170.9 |
| 16 (CH2) | 73 |
| 17 (CH3) | 16 |
| 18 (CH3) | 33.5 |
| 19 (CH3) | 23.6 |
| 20 (CH3) | 18.9 |
| 6b (C) | 170.3 |
| 6c (CH3) | 21.8 |
