Spektraris NMR
3β-(Acetyloxy)-6α-hydroxyligularenolide
Common Name: 3β-(Acetyloxy)-6α-hydroxyligularenolide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H20O5/c1-8-14-13(22-16(8)20)7-11-5-6-12(21-10(3)18)9(2)17(11,4)15(14)19/h5,7,9,12,15,19H,6H2,1-4H3/t9-,12-,15-,17+/m0/s1
InChIKey: InChIKey=GIADPUPHJZNSLX-WWARLWRMSA-N
Formula: C17H20O5
Molecular Weight: 304.33835
Exact Mass: 304.131074
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Xu, J.Q., Hu, L.H. Helv Chim Acta (2008) 91, 951-7
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) | 128.6 |
| 2 (CH2) | 31.7 |
| 3 (CH) | 74.7 |
| 4 (CH) | 40.9 |
| 5 (C) | 46.3 |
| 6 (CH) | 77.8 |
| 7 (C) | 151.3 |
| 8 (C) | 148.9 |
| 9 (CH) | 110.8 |
| 10 (C) | 139.9 |
| 11 (C) | 124.2 |
| 12 (C) | 173.1 |
| 13 (CH3) | 9.4 |
| 14 (CH3) | 15.1 |
| 15 (CH3) | 15.3 |
| 3a (C) | 172.7 |
| 3b (CH3) | 21.3 |
