Spektraris NMR
Agastaquinone
Common Name: Agastaquinone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H20O5/c1-9(2)14-17(23)16-12(21)8-11-10(6-7-13(22)20(11,3)4)15(16)18(24)19(14)25-5/h6-9,21H,1-5H3
InChIKey: InChIKey=STVUTFZJYUGHSD-UHFFFAOYSA-N
Formula: C20H20O5
Molecular Weight: 340.370558
Exact Mass: 340.131074
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Lee, H.K., Oh, S.R., Kim, J.I., Kim, J.W., Lee, C.O. J Nat Prod (1995) 58, 1718-21
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) | 139.66 |
| 2 (CH) | 126.33 |
| 3 (C) | 201.67 |
| 4 (C) | 48.31 |
| 5 (C) | 157.17 |
| 6 (CH) | 121.82 |
| 7 (C) | 162.54 |
| 8 (C) | 113.89 |
| 9 (C) | 122.31 |
| 10 (C) | 128.44 |
| 11 (C) | 183.39 |
| 12 (C) | 159.87 |
| 13 (C) | 137.44 |
| 14 (C) | 190.87 |
| 15 (CH) | 24.29 |
| 16 (CH3) | 20.25 |
| 17 (CH3) | 20.25 |
| 18 (CH3) | 27.78 |
| 19 (CH3) | 27.78 |
| 12a (CH3) | 60.89 |
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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.