Spektraris NMR
Ligulasagitin B
Common Name: Ligulasagitin B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H26O5/c1-10-4-5-14(21)19-8-18-12(6-16(10,19)3)11(2)13(23-18)7-17(18,9-20)15(22)24-19/h10,13-14,20-21H,4-9H2,1-3H3/t10-,13+,14+,16+,17+,18+,19-/m0/s1
InChIKey: InChIKey=BQAANQJBTMDRLQ-PEHAGOIBSA-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) | 74.2 |
| 2 (CH2) | 30.1 |
| 3 (CH2) | 24.9 |
| 4 (CH) | 36.8 |
| 5 (C) | 41.4 |
| 6 (CH2) | 35.7 |
| 7 (C) | 132.9 |
| 8 (C) | 87 |
| 9 (CH2) | 27.7 |
| 10 (C) | 91.5 |
| 11 (C) | 143.9 |
| 12 (CH) | 83 |
| 13 (CH3) | 10.1 |
| 14 (CH3) | 16.5 |
| 15 (CH3) | 15.8 |
| 1' (CH2) | 36.2 |
| 2' (C) | 54.2 |
| 3' (C) | 172.9 |
| 4' (CH2) | 66.8 |
