Spektraris NMR
Xerantholide
Common Name: Xerantholide
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H18O3/c1-7-4-14-12(9(3)15(17)18-14)5-11-8(2)13(16)6-10(7)11/h7,10,12,14H,3-6H2,1-2H3/t7-,10-,12+,14-/m0/s1
InChIKey: InChIKey=UQNONRHPSCIIJO-BNYHBGRESA-N
Formula: C15H18O3
Molecular Weight: 246.302187
Exact Mass: 246.125594
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Miski, M., De Luengo, D.H., Mabry, T.J. Phytochemistry (1987) 26, 199-200
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Guaianes; 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) | 44.2 |
| 2 (CH2) | 40.3 |
| 3 (C) | 207 |
| 4 (C) | 139.8 |
| 5 (C) | 169.7 |
| 6 (CH2) | 30 |
| 7 (CH) | 45.1 |
| 8 (CH) | 81.3 |
| 9 (CH2) | 41.5 |
| 10 (CH) | 33 |
| 11 (C) | 139.2 |
| 12 (C) | 169.8 |
| 13 (CH2) | 120 |
| 14 (CH3) | 12.7 |
| 15 (CH3) | 8.1 |
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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.