Spektraris NMR
(-)-Calaminthone
Common Name: (-)-Calaminthone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C12H14O4/c1-6-4-9-10(7(2)5-15-9)11(14)12(6)16-8(3)13/h5-6,12H,4H2,1-3H3/t6-,12-/m0/s1
InChIKey: InChIKey=LUROOFSVNUUOCG-QTTZVWFDSA-N
Formula: C12H14O4
Molecular Weight: 222.237621
Exact Mass: 222.089209
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Macias, F.A., Fronczek, F.R., Fischer, N.H. Phytochemistry (1989) 28, 79-82
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 (CH) | 33.8 |
| 2 (CH2) | 30 |
| 3 (C) | 164.6 |
| 4 (C) | 119 |
| 5 (C) | 188.7 |
| 6 (CH) | 76.7 |
| 7 (CH3) | 13.8 |
| 8 (C) | 119.3 |
| 9 (CH) | 140.2 |
| 10 (CH3) | 8.7 |
| 6a (C) | 170.2 |
| 6b (CH3) | 20.8 |
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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.