Spektraris NMR
Ligulasagitin A
Common Name: Ligulasagitin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H24O6/c1-10-4-5-14(20)12-7-15(21)13(8-18(10,12)2)19(3)16(22)6-11(9-25-19)17(23)24/h7-10,14,16,20,22H,4-6H2,1-3H3,(H,23,24)/t10-,14+,16?,18+,19?/m0/s1
InChIKey: InChIKey=GUUIDVPYVVFJMG-RLJSLNLTSA-N
Formula: C19H24O6
Molecular Weight: 348.39099
Exact Mass: 348.157289
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Li, P.L., Wang, C.M., Zhang, Z.X., Jia, Z.J. Tetrahedron (2007) 63, 12665-70
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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 (CH) | 73.6 |
| 2 (CH2) | 34.7 |
| 3 (CH2) | 25.2 |
| 4 (CH) | 42.3 |
| 5 (C) | 44.4 |
| 6 (CH) | 156.1 |
| 7 (C) | 135 |
| 8 (C) | 186.2 |
| 9 (CH) | 126.9 |
| 10 (C) | 165.9 |
| 11 (C) | 82.3 |
| 12 (CH) | 67.3 |
| 13 (CH3) | 23.4 |
| 14 (CH3) | 18.8 |
| 15 (CH3) | 16.4 |
| 16 (CH2) | 26.4 |
| 17 (C) | 103.9 |
| 18 (CH) | 154.2 |
| 19 (C) | 171.6 |
