Spektraris NMR
3,8-Oxo-eremophila-6,9-dien-12-oic acid
Common Name: 3,8-Oxo-eremophila-6,9-dien-12-oic acid
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H18O4/c1-8(14(18)19)11-7-15(3)9(2)12(16)5-4-10(15)6-13(11)17/h6-9H,4-5H2,1-3H3,(H,18,19)/t8?,9-,15+/m0/s1
InChIKey: InChIKey=VSJOVUGTMPNFMJ-PULWDDPKSA-N
Formula: C15H18O4
Molecular Weight: 262.301592
Exact Mass: 262.120509
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Mao, M., Jia, Z. Planta Med (2002) 68, 55-9
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 (CH2) | 31.5 |
| 2 (CH2) | 40.6 |
| 3 (C) | 208.1 |
| 4 (CH) | 52.3 |
| 5 (C) | 45.5 |
| 6 (CH) | 149.1 |
| 7 (C) | 138.6 |
| 8 (C) | 184.6 |
| 9 (CH) | 125.4 |
| 10 (C) | 163.8 |
| 11 (CH) | 39.1 |
| 12 (C) | 174.9 |
| 13 (CH3) | 16.7 |
| 14 (CH3) | 19.6 |
| 15 (CH3) | 16.5 |
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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.