Spektraris NMR
Madolin R
Common Name: Madolin R
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O2/c1-5-15(4)8-6-7-13(9-12(3)17)14(15)11(2)10-16/h5,7,10,12,14,17H,1-2,6,8-9H2,3-4H3/t12?,14-,15+/m1/s1
InChIKey: InChIKey=YNDHZDUJGUCLCV-UCWKZMIHSA-N
Formula: C15H22O2
Molecular Weight: 234.334545
Exact Mass: 234.16198
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wu, T.S., Chan, Y.Y., Leu, Y.L. J Nat Prod (2001) 64, 71-4
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Elemanes; 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) | 145.7 |
| 2 (CH2) | 112.1 |
| 3 (CH2) | 137.5 |
| 4 (C) | 150.6 |
| 5 (CH) | 41.9 |
| 6 (C) | 134.6 |
| 7 (CH) | 126.9 |
| 8 (CH2) | 22.8 |
| 9 (CH2) | 27.7 |
| 10 (C) | 38.3 |
| 11 (CH2) | 46.3 |
| 12 (CH) | 64.3 |
| 13 (CH3) | 22.6 |
| 14 (CH3) | 26.3 |
| 15 (CH) | 194.2 |
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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.