Spektraris NMR
Madolin S
Common Name: Madolin S
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H24O2/c1-6-16(4)9-7-8-14(10-13(3)18-5)15(16)12(2)11-17/h6,8,11,13,15H,1-2,7,9-10H2,3-5H3/t13?,15-,16+/m1/s1
InChIKey: InChIKey=FSNPCNLAIKFHJU-CZVYVAOFSA-N
Formula: C16H24O2
Molecular Weight: 248.361162
Exact Mass: 248.17763
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) | 111.7 |
| 3 (CH2) | 137.3 |
| 4 (C) | 152.8 |
| 5 (CH) | 42.6 |
| 6 (C) | 128.5 |
| 7 (CH) | 125.3 |
| 8 (CH2) | 22.9 |
| 9 (CH2) | 28.4 |
| 10 (C) | 38.4 |
| 11 (CH2) | 43.4 |
| 12 (CH) | 74.7 |
| 13 (CH3) | 19.1 |
| 14 (CH3) | 25.6 |
| 15 (CH) | 194.4 |
| 12a (CH3) | 56 |
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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.