Spektraris NMR
Suberosin
Common Name: Suberosin
Synonyms: Suberosin
CAS Registry Number:
InChI: InChI=1S/C15H16O3/c1-10(2)4-5-11-8-12-6-7-15(16)18-14(12)9-13(11)17-3/h4,6-9H,5H2,1-3H3
InChIKey: InChIKey=RSZDAYHEZSRVHS-UHFFFAOYSA-N
Formula: C15H16O3
Molecular Weight: 244.286305
Exact Mass: 244.109944
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chang, C.J., Floss, H.G., Steck, W. J Org Chem (1977) 42, 1337-40
Species:
Notes: Family : Chromans, Type : Coumarins, Group : Coumarins; 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 |
|---|---|
| 2 (C) | 160.9 |
| 3 (CH) | 112.4 |
| 4 (CH) | 143.5 |
| 5 (CH) | 126 |
| 6 (C) | 107.1 |
| 7 (C) | 159.9 |
| 8 (CH) | 117.4 |
| 9 (C) | 152.4 |
| 10 (C) | 112.6 |
| 6a (CH2) | 21.6 |
| 6b (CH) | 120.8 |
| 6c (C) | 132.1 |
| 6d (CH3) | 25.4 |
| 6e (CH3) | 17.6 |
| 7a (CH3) | 55.7 |
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