Spektraris NMR
3,12-Dihydroxysapriparaquinone-1-ene
Common Name: 3,12-Dihydroxysapriparaquinone-1-ene
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H22O4/c1-10(2)15(21)9-8-13-12(5)6-7-14-17(13)20(24)19(23)16(11(3)4)18(14)22/h6-9,11,21,23H,1-5H3/b9-8-
InChIKey: InChIKey=ZGQREKMHTJODQS-HJWRWDBZSA-N
Formula: C20H22O4
Molecular Weight: 326.387034
Exact Mass: 326.151809
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 (CH) | 129.6 |
| 2 (CH) | 128.8 |
| 3 (C) | 150 |
| 4 (C) | 126.5 |
| 5 (C) | 142.2 |
| 6 (CH) | 127.9 |
| 7 (CH) | 118.3 |
| 8 (C) | 134 |
| 9 (C) | 132.7 |
| 10 (C) | 143.7 |
| 11 (C) | 184.8 |
| 12 (C) | 153.1 |
| 13 (C) | 132.7 |
| 14 (C) | 184 |
| 15 (CH) | 24.1 |
| 16 (CH3) | 20.9 |
| 17 (CH3) | 20.9 |
| 18 (CH3) | 29.7 |
| 19 (CH3) | 29.7 |
| 5a (CH3) | 18.4 |
