Spektraris NMR
Ligulasagitin D
Common Name: Ligulasagitin D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H38O6/c1-16-6-8-23(31)20-11-25(33)19(13-28(16,20)3)18-10-27(35)30(5,36-15-18)22-14-29(4)17(2)7-9-24(32)21(29)12-26(22)34/h11-17,23-24,27,31-32,35H,6-10H2,1-5H3/t16-,17-,23+,24+,27-,28+,29+,30-/m0/s1
InChIKey: InChIKey=BYLFPDQIZSDDBN-GLHDIFAMSA-N
Formula: C30H38O6
Molecular Weight: 494.620255
Exact Mass: 494.266839
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) | 73.7 |
| 2 (CH2) | 34.7 |
| 3 (CH2) | 25.3 |
| 4 (CH) | 42 |
| 5 (C) | 43.8 |
| 6 (CH) | 150.7 |
| 7 (C) | 133.4 |
| 8 (C) | 186.5 |
| 9 (CH) | 127 |
| 10 (C) | 164.5 |
| 11 (C) | 107.4 |
| 12 (CH) | 142.3 |
| 13 (CH2) | 29.9 |
| 14 (CH3) | 16.4 |
| 15 (CH3) | 19.3 |
| 1' (CH) | 73.6 |
| 2' (CH2) | 34.7 |
| 3' (CH2) | 25.3 |
| 4' (CH) | 42.5 |
| 5' (C) | 44.5 |
| 6' (CH) | 156.7 |
| 7' (C) | 135.5 |
| 8' (C) | 187.1 |
| 9' (CH) | 127 |
| 10' (C) | 166.2 |
| 11' (C) | 79.8 |
| 12' (CH) | 68.7 |
| 13' (CH3) | 29.9 |
| 14' (CH3) | 16.5 |
| 15' (CH3) | 18.7 |
