Spektraris NMR
β-Gardiol
Common Name: β-Gardiol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C11H14O6/c1-15-8(12)6-5-2-3-11(14)4-16-10(7(5)11)17-9(6)13/h2-3,5-7,9-10,13-14H,4H2,1H3/t5-,6+,7-,9+,10+,11-/m1/s1
InChIKey: InChIKey=QEGAWOPOQXLXMR-NERBKRFESA-N
Formula: C11H14O6
Molecular Weight: 242.225695
Exact Mass: 242.079038
NMR Solvent: D2O
MHz:
Calibration:
NMR references: 13C - Jensen, S.R. Phytochemistry (1983) 22, 1761-5
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Iridoids; 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) | 101.5 |
| 3 (CH) | 89.2 |
| 4 (CH) | 46.9 |
| 5 (CH) | 41.7 |
| 6 (CH) | 138.5 |
| 7 (CH) | 134.1 |
| 8 (C) | 93.4 |
| 9 (CH) | 46.9 |
| 10 (CH2) | 73 |
| 11 (C) | 173.8 |
| 11a (CH3) | 53.4 |
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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.