Spektraris NMR
8-Methoxy-9-hydroxythymol 3-O-angelate
Common Name: 8-Methoxy-9-hydroxythymol 3-O-angelate
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H22O4/c1-6-12(3)15(18)20-14-9-11(2)7-8-13(14)16(4,10-17)19-5/h6-9,17H,10H2,1-5H3/b12-6-
InChIKey: InChIKey=QKESIZAEBRXOLV-SDQBBNPISA-N
Formula: C16H22O4
Molecular Weight: 278.344091
Exact Mass: 278.151809
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) | 139.1 |
| 2 (CH) | 125.1 |
| 3 (C) | 148.6 |
| 4 (C) | 130 |
| 5 (CH) | 129 |
| 6 (CH) | 126.7 |
| 7 (CH3) | 20.8 |
| 8 (C) | 79.4 |
| 9 (CH2) | 69.1 |
| 10 (CH3) | 20.2 |
| 3a (C) | 166.4 |
| 3b (C) | 127.1 |
| 3c (CH) | 141.2 |
| 3d (CH3) | 15.9 |
| 3ba (CH3) | 20.7 |
| 8a (CH3) | 50.9 |
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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.