Spektraris NMR
5aH-3b,4b-Epoxy-14-oxoguaia-1(10),11(13)-dien-6a,12-olide
Common Name: 5aH-3b,4b-Epoxy-14-oxoguaia-1(10),11(13)-dien-6a,12-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H16O4/c1-7-9-4-3-8(6-16)10-5-11-15(2,19-11)12(10)13(9)18-14(7)17/h6,9,11-13H,1,3-5H2,2H3/t9-,11-,12-,13-,15-/m0/s1
InChIKey: InChIKey=ALHZMSMLLKOLHZ-CLPVKGIJSA-N
Formula: C15H16O4
Molecular Weight: 260.28571
Exact Mass: 260.104859
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Hilmi, F., Sticher, O., Heilmann, J. Planta Med (2003) 69, 462-4
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) | 164.5 |
| 2 (CH2) | 33.1 |
| 3 (CH) | 64.7 |
| 4 (C) | 66.6 |
| 5 (CH) | 55.8 |
| 6 (CH) | 80.6 |
| 7 (CH) | 55.3 |
| 8 (CH2) | 26.8 |
| 9 (CH2) | 23.5 |
| 10 (C) | 140.2 |
| 11 (C) | 140.6 |
| 12 (C) | 171.2 |
| 13 (CH2) | 118.8 |
| 14 (CH) | 192.5 |
| 15 (CH3) | 18.9 |
