Spektraris NMR
Madolin X
Common Name: Madolin X
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O3/c1-9(2)12-6-4-10(3)13(16)7-5-11-8-14(12)18-15(11)17/h4,8,12-14,16H,1,5-7H2,2-3H3/b10-4+/t12-,13+,14-/m1/s1
InChIKey: InChIKey=XJUHTEFWFCFCBI-DMKYHSDQSA-N
Formula: C15H20O3
Molecular Weight: 248.318068
Exact Mass: 248.141245
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 : Germacranes; 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) | 66.9 |
| 2 (CH2) | 23.9 |
| 3 (CH2) | 20.7 |
| 4 (C) | 137.5 |
| 5 (CH) | 152.9 |
| 6 (CH) | 83.3 |
| 7 (CH) | 50.3 |
| 8 (CH2) | 25.6 |
| 9 (CH) | 129.4 |
| 10 (C) | 136.3 |
| 11 (C) | 146 |
| 12 (CH2) | 112.9 |
| 13 (CH3) | 21.6 |
| 14 (CH3) | 16.9 |
| 15 (C) | 174 |
Copyright © 2025
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.