Spektraris NMR
Neodictyolactone
Common Name: Neodictyolactone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H30O2/c1-14(2)7-5-9-16(4)18-12-11-15(3)8-6-10-17-13-22-20(21)19(17)18/h7-8,16,18H,5-6,9-13H2,1-4H3/b15-8+/t16?,18-/m1/s1
InChIKey: InChIKey=JBDGMKIVDKWNHE-JLAVOQIUSA-N
Formula: C20H30O2
Molecular Weight: 302.45175
Exact Mass: 302.22458
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Siamopoulou, P., Bimplakis, A., Iliopoulou, D., Vagias, C., Cos, P., Vanden Berghe, D., Roussis, V. Phytochemistry (2004) 65, 2025-30
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Xenicanes; 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 (C) | 157.6 |
| 2 (C) | 133.2 |
| 3 (CH) | 43 |
| 4 (CH2) | 32.1 |
| 5 (CH2) | 40.4 |
| 6 (C) | 140.1 |
| 7 (CH) | 123.5 |
| 8 (CH2) | 25.7 |
| 9 (CH2) | 28.4 |
| 10 (CH) | 33 |
| 11 (CH2) | 35.1 |
| 12 (CH2) | 25 |
| 13 (CH) | 124.7 |
| 14 (C) | 131.2 |
| 15 (CH3) | 17.6 |
| 16 (CH3) | 25.8 |
| 17 (CH3) | 18 |
| 18 (C) | 174 |
| 19 (CH2) | 71.1 |
| 20 (CH3) | 15.8 |
