Spektraris NMR
Bisabolangelone
Common Name: Bisabolangelone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H20O3/c1-9(2)5-6-13-15(4,17)14-11(16)7-10(3)8-12(14)18-13/h5-7,12,14,17H,8H2,1-4H3/b13-6-/t12-,14+,15-/m0/s1
InChIKey: InChIKey=GNWNPLBSEQDDQV-VRBKASCLSA-N
Formula: C15H20O3
Molecular Weight: 248.318068
Exact Mass: 248.141245
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shibano, M., Okuno, A., Taniguchi, M., Baba, K., Wang, N.H. J Nat Prod (2005) 68, 1445-9
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Bisabolanes; 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) | 76.1 |
| 2 (CH2) | 34.9 |
| 3 (C) | 160 |
| 4 (CH) | 127.2 |
| 5 (C) | 196.8 |
| 6 (CH) | 53.6 |
| 7 (C) | 78.6 |
| 8 (C) | 158.2 |
| 9 (CH) | 94.4 |
| 10 (CH) | 117.7 |
| 11 (C) | 132.6 |
| 12 (CH3) | 18.2 |
| 13 (CH3) | 26 |
| 14 (CH3) | 27.4 |
| 15 (CH3) | 24.6 |
