Spektraris NMR
Isofaurinone
Common Name: Isofaurinone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H26O/c1-11(2)13-6-9-14(4)7-5-8-15(14,10-13)12(3)16/h11,13H,5-10H2,1-4H3/t13-,14-,15-/m1/s1
InChIKey: InChIKey=PUQRTRWMWYNMDM-RBSFLKMASA-N
Formula: C15H26O1
Molecular Weight: 222.366903
Exact Mass: 222.198365
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Baser, K.H., Demirci, B., Iscan, G., Hashimoto, T., Demirci, F., Noma, Y., Asakawa, Y. Chem Pharm Bull (2006) 54, 222-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cyperanes; 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) | 34.9 |
| 2 (CH2) | 18 |
| 3 (CH2) | 34.8 |
| 4 (C) | 212.4 |
| 5 (C) | 59.9 |
| 6 (CH2) | 33.4 |
| 7 (CH) | 38.8 |
| 8 (CH2) | 24.8 |
| 9 (CH2) | 35.2 |
| 10 (C) | 42.7 |
| 11 (CH) | 32.4 |
| 12 (CH3) | 19.5 |
| 13 (CH3) | 19.7 |
| 14 (CH3) | 25.2 |
| 15 (CH3) | 28.2 |
