Spektraris NMR
Amphiphenalone
Common Name: Amphiphenalone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H20O4/c1-6-4-5-9-7(2)13(17)16(20)11-8(3)14(18)15(19)10(6)12(9)11/h6-7,9,13,17-19H,4-5H2,1-3H3/t6-,7+,9+,13-/m0/s1
InChIKey: InChIKey=OYWNGWWABMFPQY-QIOBUDCOSA-N
Formula: C16H20O4
Molecular Weight: 276.328209
Exact Mass: 276.136159
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Rodriguez, A.D., Shi, Y.-P. Tetrahedron (2000) 56, 9015-23
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Amphilectanes; 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 (C) | 200.7 |
| 2 (CH) | 78.3 |
| 3 (CH) | 44.7 |
| 4 (CH) | 42.6 |
| 5 (CH2) | 28.4 |
| 6 (CH2) | 32 |
| 7 (CH) | 28.3 |
| 8 (C) | 126.3 |
| 9 (C) | 150.2 |
| 10 (C) | 142.3 |
| 11 (C) | 121 |
| 12 (C) | 126.4 |
| 13 (C) | 140.6 |
| 18 (CH3) | 15.9 |
| 19 (CH3) | 23 |
| 20 (CH3) | 14.2 |
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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.