Spektraris NMR
1α,2α-Epoxy-4β-hydroxy-5αH,7αH,8αH,10αH-guaia-11(13)-en-8β,12-olide
Common Name: 1α,2α-Epoxy-4β-hydroxy-5αH,7αH,8αH,10αH-guaia-11(13)-en-8β,12-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O4/c1-7-4-10-9(8(2)13(16)18-10)5-11-14(3,17)6-12-15(7,11)19-12/h7,9-12,17H,2,4-6H2,1,3H3/t7-,9+,10+,11-,12-,14-,15+/m0/s1
InChIKey: InChIKey=OEGMFAFEWSCTOU-UVNIQXJWSA-N
Formula: C15H20O4
Molecular Weight: 264.317473
Exact Mass: 264.136159
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Stavri, M., Mathew, K.T., Gordon, A., Shnyder, S.D., Falconer, R.A., Gibbons, S. Phytochemistry (2008) 69, 1915-8
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) | 72.4 |
| 2 (CH) | 59.6 |
| 3 (CH2) | 40.6 |
| 4 (C) | 78.2 |
| 5 (CH) | 54.9 |
| 6 (CH2) | 30.6 |
| 7 (CH) | 41.9 |
| 8 (CH) | 79.1 |
| 9 (CH2) | 35.3 |
| 10 (CH) | 30 |
| 11 (C) | 140.1 |
| 12 (C) | 169.5 |
| 13 (CH2) | 123.3 |
| 14 (CH3) | 17.2 |
| 15 (CH3) | 23.5 |
