Spektraris NMR
Madolin U
Common Name: Madolin U
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/h8,12-14,16H,1,3-7H2,2H3/t12-,13?,14-/m1/s1
InChIKey: InChIKey=AHRAJHROHXBDAF-WYAMFQBQSA-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) | 75.2 |
| 2 (CH2) | 35.8 |
| 3 (CH2) | 20.2 |
| 4 (C) | 138.2 |
| 5 (CH) | 148.8 |
| 6 (CH) | 82.8 |
| 7 (CH) | 52 |
| 8 (CH2) | 32.2 |
| 9 (CH2) | 24.8 |
| 10 (C) | 147.6 |
| 11 (C) | 152.2 |
| 12 (CH2) | 112.2 |
| 13 (CH3) | 21.3 |
| 14 (CH2) | 113.6 |
| 15 (C) | 174.3 |
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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.