Spektraris NMR
Miliusol
Common Name: Miliusol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C18H24O4/c1-12(2)5-4-6-13(3)9-16-18(11-17(21)22-16)10-14(19)7-8-15(18)20/h5,7-9,14,16,19H,4,6,10-11H2,1-3H3/b13-9+/t14-,16-,18+/m1/s1
InChIKey: InChIKey=LZYGZWJAFQLDDH-FWDDYHNSSA-N
Formula: C18H24O4
Molecular Weight: 304.381444
Exact Mass: 304.167459
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Huong do, T., Kamperdick, C., Sung, T.V. J Nat Prod (2004) 67, 445-7
Species:
Notes: Family : 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) | 82.5 |
| 3 (C) | 175.1 |
| 4 (CH2) | 38.8 |
| 5 (C) | 53.5 |
| 6 (C) | 197.7 |
| 7 (CH) | 128.3 |
| 8 (CH) | 153.2 |
| 9 (CH) | 64.3 |
| 10 (CH2) | 40.36 |
| 1' (CH) | 120.1 |
| 2' (C) | 144.1 |
| 3' (CH2) | 40.34 |
| 4' (CH2) | 26.8 |
| 5' (CH) | 124.4 |
| 6' (C) | 132.2 |
| 7' (CH3) | 25.8 |
| 8' (CH3) | 17.7 |
| 9' (CH3) | 16.9 |
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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.