Spektraris NMR
Atractylenolide- III
Common Name: Atractylenolide- III
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O3/c1-9-5-4-6-14(3)8-15(17)12(7-11(9)14)10(2)13(16)18-15/h11,17H,1,4-8H2,2-3H3/t11-,14+,15-/m0/s1
InChIKey: InChIKey=FBMORZZOJSDNRQ-GLQYFDAESA-N
Formula: C15H20O3
Molecular Weight: 248.318068
Exact Mass: 248.141245
NMR Solvent: CD2Cl2
MHz:
Calibration:
NMR references: 13C - Pachaly, P., Lansing, A., Sin, K.S. Planta Med (1989) 55, 59
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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 (CH2) | 41.6 |
| 2 (CH2) | 22.8 |
| 3 (CH2) | 36.5 |
| 4 (C) | 149 |
| 5 (CH) | 52 |
| 6 (CH2) | 24.9 |
| 7 (C) | 161 |
| 8 (C) | 103.8 |
| 9 (CH2) | 51.4 |
| 10 (C) | 37 |
| 11 (C) | 122.2 |
| 12 (C) | 172.3 |
| 13 (CH3) | 8.3 |
| 14 (CH3) | 16.7 |
| 15 (CH2) | 106.6 |
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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.