Spektraris NMR
2,12-Dihydroxysaprorthoquinone
Common Name: 2,12-Dihydroxysaprorthoquinone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O3/c1-11(2)8-15(21)10-17-13(5)6-7-14-9-16(12(3)4)19(22)20(23)18(14)17/h6-9,12,15,21H,10H2,1-5H3
InChIKey: InChIKey=WWBQNGTWPSERDV-UHFFFAOYSA-N
Formula: C20H24O3
Molecular Weight: 312.403511
Exact Mass: 312.172545
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Topcu, G., Eris, C., Ulubelen, A. Phytochemistry (1996) 41, 1143-7
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : 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 (CH2) | 32.3 |
| 2 (CH) | 73 |
| 3 (CH) | 124.4 |
| 4 (C) | 136.2 |
| 5 (C) | 137.8 |
| 6 (CH) | 124.4 |
| 7 (CH) | 124.1 |
| 8 (C) | 120.1 |
| 9 (C) | 129 |
| 10 (C) | 137.8 |
| 11 (C) | 183 |
| 12 (C) | 184.3 |
| 13 (C) | 136.2 |
| 14 (CH) | 115.7 |
| 15 (CH) | 26.9 |
| 16 (CH3) | 25.6 |
| 17 (CH3) | 25.6 |
| 18 (CH3) | 27.7 |
| 19 (CH3) | 18.3 |
| 5a (CH3) | 22.5 |
Copyright © 2024
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.