Spektraris NMR
3-Oxosaprorthoquinone
Common Name: 3-Oxosaprorthoquinone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O3/c1-11(2)16-10-14-7-6-13(5)15(8-9-17(21)12(3)4)18(14)20(23)19(16)22/h6-7,10-12H,8-9H2,1-5H3
InChIKey: InChIKey=KDNPHTQAHFLSCY-UHFFFAOYSA-N
Formula: C20H24O3
Molecular Weight: 312.403511
Exact Mass: 312.172545
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Chyu, C.F., Lin, H.C., Kuo, Y.H. Chem Pharm Bull (2005) 53, 11-4
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) | 24.9 |
| 2 (CH2) | 38.5 |
| 3 (C) | 213.9 |
| 4 (CH) | 40.8 |
| 5 (C) | 140.2 |
| 6 (CH) | 136.9 |
| 7 (CH) | 128.4 |
| 8 (C) | 134.9 |
| 9 (C) | 128.5 |
| 10 (C) | 147.2 |
| 11 (C) | 182.3 |
| 12 (C) | 181.2 |
| 13 (C) | 144.8 |
| 14 (CH) | 140.1 |
| 15 (CH) | 26.8 |
| 16 (CH3) | 21.4 |
| 17 (CH3) | 21.4 |
| 18 (CH3) | 18.3 |
| 19 (CH3) | 18.3 |
| 20 (CH3) | 19.8 |
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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.