Spektraris NMR
5-(Hydroxymethyl)-1-methylphenanthrene-2,7-diol
Common Name: 5-(Hydroxymethyl)-1-methylphenanthrene-2,7-diol
Synonyms: 5-(Hydroxymethyl)-1-methylphenanthrene-2,7-diol
CAS Registry Number:
InChI: InChI=1S/C16H14O3/c1-9-13-3-2-10-6-12(18)7-11(8-17)16(10)14(13)4-5-15(9)19/h2-7,17-19H,8H2,1H3
InChIKey: InChIKey=YSNKFAHYHSTRNF-UHFFFAOYSA-N
Formula: C16H14O3
Molecular Weight: 254.28116
Exact Mass: 254.094294
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Yang, G.Z., Li, H.X., Song, F.J., Chen, Y. Helv Chim Acta (2007) 90, 1289-95
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 (C) | 117.2 |
| 2 (C) | 152.2 |
| 3 (CH) | 115.5 |
| 4 (CH) | 126.4 |
| 4a (C) | 125 |
| 4b (C) | 124.5 |
| 5 (C) | 140.2 |
| 6 (CH) | 119.4 |
| 7 (C) | 154.4 |
| 8 (CH) | 111.4 |
| 8a (C) | 133.9 |
| 9 (CH) | 127.4 |
| 10 (CH) | 122.9 |
| 10a (C) | 132.8 |
| 1a (CH3) | 10.7 |
| 5a (CH2) | 65.2 |
