Spektraris NMR
(+)-Desacetylcalaminthone
Common Name: (+)-Desacetylcalaminthone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C10H12O3/c1-5-3-7-8(6(2)4-13-7)10(12)9(5)11/h4-5,9,11H,3H2,1-2H3/t5-,9-/m0/s1
InChIKey: InChIKey=VQJPIDCZXISJKM-CDUCUWFYSA-N
Formula: C10H12O3
Molecular Weight: 180.200863
Exact Mass: 180.078644
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) | 35.4 |
| 2 (CH2) | 30 |
| 3 (C) | 165.8 |
| 4 (C) | 117.9 |
| 5 (C) | 194.7 |
| 6 (CH) | 75.9 |
| 7 (CH3) | 12 |
| 8 (C) | 118.9 |
| 9 (CH) | 140.3 |
| 10 (CH3) | 8.7 |
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