Spektraris NMR
(5alpha,8alpha)-2-oxo-1(10),3,7(11)-guaiatrien-12,8-olide
Common Name: (5alpha,8alpha)-2-oxo-1(10),3,7(11)-guaiatrien-12,8-olide
Synonyms: (5alpha,8alpha)-2-oxo-1(10),3,7(11)-guaiatrien-12,8-olide
CAS Registry Number:
InChI: InChI=1S/C15H16O3/c1-7-4-12(16)14-8(2)5-13-11(6-10(7)14)9(3)15(17)18-13/h4,10,13H,5-6H2,1-3H3/t10-,13-/m0/s1
InChIKey: InChIKey=CTXCWPVELDJQRF-GWCFXTLKSA-N
Formula: C15H16O3
Molecular Weight: 244.286305
Exact Mass: 244.109944
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Usia, T., Watabe, T., Kadota, S., Tezuka, Y. J Nat Prod (2005) 68, 64-8
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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 (C) | 137.5 |
| 2 (C) | 195.6 |
| 3 (CH) | 134.3 |
| 4 (C) | 168.9 |
| 5 (CH) | 46.1 |
| 6 (CH2) | 30.2 |
| 7 (C) | 160.6 |
| 8 (CH) | 77.9 |
| 9 (CH2) | 41.9 |
| 10 (C) | 142.9 |
| 11 (C) | 122.9 |
| 12 (C) | 173.5 |
| 13 (CH3) | 8.4 |
| 14 (CH3) | 20.6 |
| 15 (CH3) | 16.6 |
