Spektraris NMR
Vitexilactone
Common Name: Vitexilactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H34O5/c1-14-11-16(26-15(2)23)18-19(3,4)7-6-8-20(18,5)22(14)10-9-21(27-22)12-17(24)25-13-21/h14,16,18H,6-13H2,1-5H3/t14-,16-,18+,20+,21?,22-/m1/s1
InChIKey: InChIKey=VMSPIYCFMMEMSY-QTHUDTEZSA-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) | 18.7 |
| 2 (CH2) | 29.3 |
| 3 (CH2) | 34.2 |
| 4 (C) | 34.1 |
| 5 (CH) | 48.8 |
| 6 (CH) | 70.3 |
| 7 (CH2) | 42.89 |
| 8 (CH) | 31.2 |
| 9 (C) | 85.8 |
| 10 (C) | 42.86 |
| 11 (CH2) | 36.5 |
| 12 (CH2) | 37.8 |
| 13 (C) | 93.9 |
| 14 (CH2) | 43.9 |
| 15 (C) | 174.8 |
| 16 (CH2) | 78.4 |
| 17 (CH3) | 17.2 |
| 18 (CH3) | 33.1 |
| 19 (CH3) | 21.9 |
| 20 (CH3) | 19.8 |
| 6a (C) | 170.4 |
| 6b (CH3) | 23.7 |
