Spektraris NMR
Madolin W
Common Name: Madolin W
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H22O2/c1-11-4-3-5-12(10-16)8-13-9-15(13,2)14(17)7-6-11/h4,8,10,13-14,17H,3,5-7,9H2,1-2H3/b11-4+,12-8+/t13-,14-,15-/m0/s1
InChIKey: InChIKey=HLMCIXCJYXTZPQ-BVZXDYBUSA-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 : Miscellanea; 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) | 194.1 |
| 2 (C) | 143.3 |
| 3 (CH) | 157 |
| 4 (CH) | 27.8 |
| 5 (CH2) | 25.3 |
| 6 (C) | 30.9 |
| 7 (CH) | 82.4 |
| 8 (CH2) | 30.9 |
| 9 (CH2) | 39 |
| 10 (C) | 135.6 |
| 11 (CH) | 127.1 |
| 12 (CH2) | 27.5 |
| 13 (CH2) | 22.9 |
| 14 (CH3) | 13.7 |
| 15 (CH3) | 15 |
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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.