Spektraris NMR
Thespesone
Common Name: Thespesone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H14O4/c1-6-4-9-10(7(2)5-19-9)12-11(6)15(18)14(17)8(3)13(12)16/h4,7,17H,5H2,1-3H3
InChIKey: InChIKey=UZMITIIYUGWUTQ-UHFFFAOYSA-N
Formula: C15H14O4
Molecular Weight: 258.269829
Exact Mass: 258.089209
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Puckhaber, L.S., Stipanovic, R.D. J Nat Prod (2004) 67, 1571-3
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cadalenes; 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) | 120.7 |
| 2 (C) | 180.5 |
| 3 (C) | 153.8 |
| 4 (C) | 117.7 |
| 5 (C) | 186.3 |
| 6 (C) | 131.1 |
| 7 (C) | 134.2 |
| 8 (C) | 165.6 |
| 9 (CH) | 116.2 |
| 10 (C) | 146 |
| 11 (CH) | 37.1 |
| 12 (CH2) | 80.4 |
| 13 (CH3) | 19.7 |
| 14 (CH3) | 8.4 |
| 15 (CH3) | 23.9 |
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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.