Spektraris NMR
2-Demethylmultiorthoquinone
Common Name: 2-Demethylmultiorthoquinone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C19H18O3/c1-9(2)14-7-12-5-6-13-10(3)11(4)16(20)8-15(13)17(12)19(22)18(14)21/h5-9,20H,1-4H3
InChIKey: InChIKey=OVYJWDSHGYTZSE-UHFFFAOYSA-N
Formula: C19H18O3
Molecular Weight: 294.34513
Exact Mass: 294.125594
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Ulubelen, A., Topcu, G., Johansson, C.B. J Nat Prod (1997) 60, 1275-80
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Abeo-Abietanes; 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) | 153 |
| 2 (C) | 133.2 |
| 3 (C) | 141 |
| 4 (C) | 133.5 |
| 5 (C) | 127 |
| 6 (CH) | 122.6 |
| 7 (CH) | 133 |
| 8 (C) | 128.9 |
| 9 (C) | 127 |
| 10 (C) | 150.1 |
| 11 (C) | 183.2 |
| 12 (C) | 183 |
| 13 (C) | 134.9 |
| 14 (CH) | 126.5 |
| 15 (CH) | 25.8 |
| 16 (CH3) | 22.9 |
| 17 (CH3) | 23 |
| 18 (CH3) | 21 |
| 19 (CH3) | 17.6 |
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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.