Spektraris NMR
2-[(8S)-3,5,6,7,8,8a-Hexahydro-3-oxo-8alpha,8aalpha-dimethylnaphthalene-2-yl]propanoic acid
![2-[(8S)-3,5,6,7,8,8a-Hexahydro-3-oxo-8alpha,8aalpha-dimethylnaphthalene-2-yl]propanoic acid](/nmr/static/nmr/svg/6777.svg)
Common Name: 2-[(8S)-3,5,6,7,8,8a-Hexahydro-3-oxo-8alpha,8aalpha-dimethylnaphthalene-2-yl]propanoic acid
Synonyms: 2-[(8S)-3,5,6,7,8,8a-Hexahydro-3-oxo-8alpha,8aalpha-dimethylnaphthalene-2-yl]propanoic acid
CAS Registry Number:
InChI: InChI=1S/C15H20O3/c1-9-5-4-6-11-7-13(16)12(8-15(9,11)3)10(2)14(17)18/h7-10H,4-6H2,1-3H3,(H,17,18)/t9-,10?,15+/m0/s1
InChIKey: InChIKey=GZKPGELBFJDQJX-JGQSAAPQSA-N
Formula: C15H20O3
Molecular Weight: 248.318068
Exact Mass: 248.141245
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Zhang, S.M., Zhao, G.L., Li, R., Lin, G.Q. Phytochemistry (1998) 48, 519-24
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) | 32.9 |
| 2 (CH2) | 28.1 |
| 3 (CH2) | 30.2 |
| 4 (CH) | 38.9 |
| 5 (C) | 44.3 |
| 6 (CH) | 152.9 |
| 7 (C) | 136 |
| 8 (C) | 186.3 |
| 9 (CH) | 123.6 |
| 10 (C) | 170.3 |
| 11 (CH) | 41.8 |
| 12 (C) | 177.4 |
| 13 (CH3) | 15.8 |
| 14 (CH3) | 17.2 |
| 15 (CH3) | 16.4 |
