Spektraris NMR
5,10-epi-2,3-Dihydroaromatin
Common Name: 5,10-epi-2,3-Dihydroaromatin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O3/c1-8-6-12-10(9(2)14(17)18-12)7-15(3)11(8)4-5-13(15)16/h8,10-12H,2,4-7H2,1,3H3/t8-,10+,11-,12+,15+/m0/s1
InChIKey: InChIKey=DCKYPAZZUYXYTC-ZGWNKZGNSA-N
Formula: C15H20O3
Molecular Weight: 248.318068
Exact Mass: 248.141245
NMR Solvent: C6D6
MHz:
Calibration:
NMR references: 13C - Stavri, M., Mathew, K.T., Gordon, A., Shnyder, S.D., Falconer, R.A., Gibbons, S. Phytochemistry (2008) 69, 1915-8
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) | 48.6 |
| 2 (CH2) | 24.6 |
| 3 (CH2) | 35.6 |
| 4 (C) | 222.4 |
| 5 (C) | 50.2 |
| 6 (CH2) | 35.4 |
| 7 (CH) | 45.1 |
| 8 (CH) | 81 |
| 9 (CH2) | 44.8 |
| 10 (CH) | 30 |
| 11 (C) | 142.1 |
| 12 (C) | 169.9 |
| 13 (CH2) | 119.3 |
| 14 (CH3) | 20.4 |
| 15 (CH3) | 22.4 |
