Spektraris NMR
Guaia-1(10),2,4,11(13)-tetraen-12,6xi-olide
Common Name: Guaia-1(10),2,4,11(13)-tetraen-12,6xi-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H16O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h5-6,12,14H,3-4,7H2,1-2H3/t12-,14-/m0/s1
InChIKey: InChIKey=GTSCJRHAZCEOEN-JSGCOSHPSA-N
Formula: C15H16O2
Molecular Weight: 228.2869
Exact Mass: 228.11503
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wong, H.F., Brown, G.D. J Nat Prod (2002) 65, 481-6
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) | 140.7 |
| 2 (CH) | 123.7 |
| 3 (CH) | 132.2 |
| 4 (C) | 146.9 |
| 5 (C) | 121.8 |
| 6 (CH) | 77 |
| 7 (CH) | 42 |
| 8 (CH2) | 34.4 |
| 9 (CH2) | 32.8 |
| 10 (C) | 154.2 |
| 11 (C) | 141 |
| 12 (C) | 170.8 |
| 13 (CH2) | 123.1 |
| 14 (CH3) | 24.4 |
| 15 (CH3) | 13.7 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.