Spektraris NMR
Ligulasagitin C
Common Name: Ligulasagitin C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H26O5/c1-10-4-5-14-18(22)8-19-12(6-16(10,18)3)11(2)13(24-19)7-17(19,9-20)15(21)23-14/h10,13-14,20,22H,4-9H2,1-3H3/t10-,13+,14-,16+,17+,18+,19+/m0/s1
InChIKey: InChIKey=ZYHQYKWIRIJDJT-VHOHBCSHSA-N
Formula: C19H26O5
Molecular Weight: 334.407466
Exact Mass: 334.178024
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) | 84.2 |
| 2 (CH2) | 23.9 |
| 3 (CH2) | 23.2 |
| 4 (CH) | 38.4 |
| 5 (C) | 38.6 |
| 6 (CH2) | 34.3 |
| 7 (C) | 135.1 |
| 8 (C) | 86.3 |
| 9 (CH2) | 36.5 |
| 10 (C) | 74.4 |
| 11 (C) | 142.8 |
| 12 (CH) | 81.7 |
| 13 (CH3) | 10.4 |
| 14 (CH3) | 22.6 |
| 15 (CH3) | 17.6 |
| 1' (CH2) | 40.6 |
| 2' (C) | 59.2 |
| 3' (C) | 173.8 |
| 4' (CH2) | 65.6 |
