Spektraris NMR
Isodehydrochamaecynone
Common Name: Isodehydrochamaecynone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C14H16O/c1-4-11-5-7-14(3)8-6-13(15)10(2)12(14)9-11/h1,6,8,11-12H,2,5,7,9H2,3H3/t11-,12-,14+/m1/s1
InChIKey: InChIKey=IGGHNQBLFKBHMD-BZPMIXESSA-N
Formula: C14H16O1
Molecular Weight: 200.27676
Exact Mass: 200.120115
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Higuchi, Y., Shimoma, F., Koyanagi, R., Suda, K., Mitsui, T., Kataoka, T., Nagai, K., Ando, M. J Nat Prod (2003) 66, 588-94
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Eudesmanes; 13 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) | 158.5 |
| 2 (CH) | 128.8 |
| 3 (C) | 187.9 |
| 4 (C) | 145.6 |
| 5 (CH) | 46.1 |
| 6 (CH2) | 34 |
| 7 (CH) | 26 |
| 8 (CH2) | 27.6 |
| 9 (CH2) | 34.4 |
| 10 (C) | 38.2 |
| 11 (C) | 86.5 |
| 12 (CH) | 70.1 |
| 14 (CH3) | 29.2 |
| 15 (CH2) | 122 |
