Spektraris NMR
5aH-2b-hydroxyguaia-3(4),10(14),11(13)-trien-6a,12-olide
Common Name: 5aH-2b-hydroxyguaia-3(4),10(14),11(13)-trien-6a,12-olide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H18O3/c1-7-4-5-10-9(3)15(17)18-14(10)13-8(2)6-11(16)12(7)13/h6,10-14,16H,1,3-5H2,2H3/t10-,11+,12+,13-,14-/m0/s1
InChIKey: InChIKey=CNZFXMFZSSKXQC-ZSLBOAEBSA-N
Formula: C15H18O3
Molecular Weight: 246.302187
Exact Mass: 246.125594
NMR Solvent: C6D6
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 (CH) | 57.9 |
| 2 (CH) | 79.7 |
| 3 (CH) | 130.4 |
| 4 (C) | 145.4 |
| 5 (CH) | 55 |
| 6 (CH) | 84.1 |
| 7 (CH) | 44.8 |
| 8 (CH2) | 30.6 |
| 9 (CH2) | 34.9 |
| 10 (C) | 147.3 |
| 11 (C) | 140.3 |
| 12 (C) | 169 |
| 13 (CH2) | 118.9 |
| 14 (CH2) | 113.6 |
| 15 (CH3) | 17.1 |
