Spektraris NMR
9-Hydroxythymol 3-O-angelate
Common Name: 9-Hydroxythymol 3-O-angelate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O3/c1-5-11(3)15(17)18-14-8-10(2)6-7-13(14)12(4)9-16/h5-8,12,16H,9H2,1-4H3/b11-5-
InChIKey: InChIKey=WLQGAANKDYIUIO-WZUFQYTHSA-N
Formula: C15H20O3
Molecular Weight: 248.318068
Exact Mass: 248.141245
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Jiang, H.X., Li, Y., Pan, J., Gao, K. Helv Chim Acta (2006) 89, 558-66
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : p-Menthanes; 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) | 137.6 |
| 2 (CH) | 123.3 |
| 3 (C) | 148.9 |
| 4 (C) | 127.4 |
| 5 (CH) | 127.4 |
| 6 (CH) | 127.4 |
| 7 (CH3) | 20.9 |
| 8 (CH) | 37.4 |
| 9 (CH2) | 67.9 |
| 10 (CH3) | 17.3 |
| 3a (C) | 166.8 |
| 3b (C) | 132.3 |
| 3c (CH) | 141.1 |
| 3d (CH3) | 16 |
| 3ba (CH3) | 20.7 |
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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.