Spektraris NMR
4-hydroxysaprorthoquinone
Common Name: 4-hydroxysaprorthoquinone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H26O3/c1-12(2)16-11-14-9-8-13(3)15(7-6-10-20(4,5)23)17(14)19(22)18(16)21/h8-9,11-12,23H,6-7,10H2,1-5H3
InChIKey: InChIKey=QJYXXTULLNTAEX-UHFFFAOYSA-N
Formula: C20H26O3
Molecular Weight: 314.419392
Exact Mass: 314.188195
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chen, X., Ding, J., Ye, Y.M., Zhang, J.S. J Nat Prod (2002) 65, 1016-20
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) | 30.6 |
| 2 (CH2) | 23.8 |
| 3 (CH2) | 44.2 |
| 4 (C) | 71.1 |
| 5 (C) | 148.6 |
| 6 (CH) | 140.3 |
| 7 (CH) | 136.7 |
| 8 (C) | 128.2 |
| 9 (C) | 134.9 |
| 10 (C) | 140 |
| 11 (C) | 182.3 |
| 12 (C) | 181.4 |
| 13 (C) | 144.6 |
| 14 (CH) | 128.1 |
| 15 (CH) | 26.9 |
| 16 (CH3) | 21.5 |
| 17 (CH3) | 21.5 |
| 18 (CH3) | 29.2 |
| 19 (CH3) | 29.2 |
| 20 (CH3) | 19.8 |
Copyright © 2025
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.