Spektraris NMR
Calaphenanthrenol
Common Name: Calaphenanthrenol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H16O5/c1-20-12-6-9-4-3-8-5-10(17)7-11(18)13(8)14(9)16(21-2)15(12)19/h5-7,17-19H,3-4H2,1-2H3
InChIKey: InChIKey=UKUPIFBNLKECPT-UHFFFAOYSA-N
Formula: C16H16O5
Molecular Weight: 288.295851
Exact Mass: 288.099774
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Majumder, P.L., Sen, S., Majumder, S. Phytochemistry (2001) 58, 581-6
Species:
Notes: Family : Aromatics, Type : Phenanthrenes; 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) | 108 |
| 2 (C) | 145.7 |
| 3 (C) | 142 |
| 4 (C) | 142.1 |
| 5 (C) | 154.7 |
| 6 (CH) | 104 |
| 7 (C) | 156 |
| 8 (CH) | 108 |
| 9 (CH2) | 31.6 |
| 10 (CH2) | 30.5 |
| 11 (C) | 119.2 |
| 12 (C) | 113 |
| 13 (C) | 131.4 |
| 14 (C) | 137.2 |
| 2a (CH3) | 61.8 |
| 4a (CH3) | 56.4 |
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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.