Spektraris NMR
12-Hydroxysapriparaquinone
Common Name: 12-Hydroxysapriparaquinone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O3/c1-11(2)7-6-8-14-13(5)9-10-15-17(14)20(23)19(22)16(12(3)4)18(15)21/h7,9-10,12,22H,6,8H2,1-5H3
InChIKey: InChIKey=NUNZPHDNWXNHOU-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) | 30.2 |
| 2 (CH2) | 27.8 |
| 3 (CH) | 123.7 |
| 4 (C) | 126.3 |
| 5 (C) | 144.4 |
| 6 (CH) | 136.2 |
| 7 (CH) | 126.4 |
| 8 (C) | 136.3 |
| 9 (C) | 132.5 |
| 10 (C) | 143.2 |
| 11 (C) | 184.6 |
| 12 (C) | 153.2 |
| 13 (C) | 132.5 |
| 14 (C) | 183.3 |
| 15 (CH) | 24.4 |
| 16 (CH3) | 19.8 |
| 17 (CH3) | 19.8 |
| 18 (CH3) | 26.9 |
| 19 (CH3) | 17.6 |
| 5a (CH3) | 20.3 |
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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.