Spektraris NMR
2,12'-bis-hamazulenyl
Common Name: 2,12'-bis-hamazulenyl
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H30/c1-6-22-10-8-20(4)28-24(15-21(5)27(28)16-22)13-12-23-11-7-18(2)25-14-9-19(3)26(25)17-23/h7-11,14-17H,6,12-13H2,1-5H3
InChIKey: InChIKey=SBVNUUZXDWQKGR-UHFFFAOYSA-N
Formula: C28H30
Molecular Weight: 366.538828
Exact Mass: 366.234751
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Tikhonova, E.V., Atazhanova, G.A., Raldugin, V.A., Bagryanskaya, I.Y., Gatilov, Y.V., Shakirov, M.M., Adekenov, S.M. Chem Nat Compd (2006) 42, 298-300
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 (C) | 138.04 |
| 2 (CH) | 113.67 |
| 3 (CH) | 136.72 |
| 4 (C) | 136.91 |
| 5 (C) | 125.48 |
| 6 (CH) | 135.33 |
| 7 (C) | 133.7 |
| 8 (CH) | 136.95 |
| 9 (CH) | 124.9 |
| 10 (C) | 144.24 |
| 11 (CH2) | 44.8 |
| 12 (CH2) | 35.56 |
| 14 (CH3) | 24.06 |
| 15 (CH3) | 12.92 |
| 1' (C) | 133.14 |
| 2' (C) | 138.63 |
| 3' (CH) | 140.57 |
| 4' (C) | 136.91 |
| 5' (C) | 124.29 |
| 6' (CH) | 134.66 |
| 7' (C) | 134.54 |
| 8' (CH) | 135.33 |
| 9' (CH) | 126.26 |
| 10' (C) | 145.07 |
| 11' (CH2) | 33.42 |
| 12' (CH3) | 17.32 |
| 14' (CH3) | 26.97 |
| 15' (CH3) | 13.02 |
