Spektraris NMR
Atractylochromene
Common Name: Atractylochromene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H22O2/c1-12(2)6-5-8-17(4)9-7-14-11-15(18)10-13(3)16(14)19-17/h6-7,9-11,18H,5,8H2,1-4H3
InChIKey: InChIKey=OBBCGWKGCBJQIW-UHFFFAOYSA-N
Formula: C17H22O2
Molecular Weight: 258.356017
Exact Mass: 258.16198
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Resch, M., Steigel, A., Chen, Z.L., Bauer, R. J Nat Prod (1998) 61, 347-50
Species:
Notes: Family : Terpenoids, Type : Meromonoterpenoids, Group : Dimethyloctanes; 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) | 122.8 |
| 2 (CH) | 130.8 |
| 3 (C) | 77.8 |
| 4 (CH2) | 40.8 |
| 5 (CH2) | 22.7 |
| 6 (CH) | 124.2 |
| 7 (C) | 131.6 |
| 8 (CH3) | 25.7 |
| 9 (CH3) | 17.6 |
| 10 (CH3) | 25.8 |
| 1' (C) | 121.3 |
| 2' (C) | 148.5 |
| 3' (C) | 144.9 |
| 4' (CH) | 117 |
| 5' (C) | 126.4 |
| 6' (CH) | 110.2 |
| 3'a (CH3) | 15.5 |
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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.