Spektraris NMR
Furanoeremophil-1-one
Common Name: Furanoeremophil-1-one
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O2/c1-9-8-17-14-6-12-13(16)5-4-10(2)15(12,3)7-11(9)14/h8,10,12H,4-7H2,1-3H3/t10-,12+,15+/m0/s1
InChIKey: InChIKey=MHEQQQWHNMVBFL-JVLSTEMRSA-N
Formula: C15H20O2
Molecular Weight: 232.318663
Exact Mass: 232.14633
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Molleken, U., Sinnwell, V., Kubeczka, K.H. Phytochemistry (1998) 49, 1709-14
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eremophilanes; 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) | 208.5 |
| 2 (CH2) | 42.1 |
| 3 (CH2) | 34.4 |
| 4 (CH) | 41.4 |
| 5 (C) | 54 |
| 6 (CH2) | 30.9 |
| 7 (C) | 115.3 |
| 8 (C) | 148.9 |
| 9 (CH2) | 22.7 |
| 10 (CH) | 35.1 |
| 11 (C) | 119.5 |
| 12 (CH) | 137.9 |
| 13 (CH3) | 8.1 |
| 14 (CH3) | 14.8 |
| 15 (CH3) | 11.7 |
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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.