Spektraris NMR
Isocorymbolone (acetate)
Common Name: Isocorymbolone (acetate)
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C17H26O3/c1-10(2)13-8-14-11(3)6-7-15(19)17(14,5)16(9-13)20-12(4)18/h11,13-14,16H,1,6-9H2,2-5H3/t11-,13+,14+,16-,17-/m1/s1
InChIKey: InChIKey=TZIYVWGCHFTUEZ-RZQILNRJSA-N
Formula: C17H26O3
Molecular Weight: 278.387185
Exact Mass: 278.188195
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Garbarino, J.A., Chamy, M.C., Gambaro, V. Phytochemistry (1985) 24, 2726-7
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 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) | 215.3 |
| 2 (CH2) | 33 |
| 3 (CH2) | 30.5 |
| 4 (CH) | 31.7 |
| 5 (CH) | 53.7 |
| 6 (CH2) | 25.6 |
| 7 (CH) | 39.5 |
| 8 (CH2) | 26.7 |
| 9 (CH) | 79 |
| 10 (C) | 51.2 |
| 11 (C) | 150.6 |
| 12 (CH2) | 108.5 |
| 13 (CH3) | 21 |
| 14 (CH3) | 17.4 |
| 15 (CH3) | 19.9 |
| 9a (C) | 169.9 |
| 9b (CH3) | 19.6 |
