Spektraris NMR
jaspaquinol
Common Name: jaspaquinol
Synonyms: jaspaquinol
CAS Registry Number:
InChI: InChI=1S/C26H38O2/c1-19(11-13-22-18-23(27)14-16-25(22)28)8-6-9-20(2)12-15-24-21(3)10-7-17-26(24,4)5/h9,11,14,16,18,27-28H,6-8,10,12-13,15,17H2,1-5H3/b19-11+,20-9+
InChIKey: InChIKey=KUTRNQZRJBENDY-ZQYJZOSASA-N
Formula: C26H38O2
Molecular Weight: 382.579692
Exact Mass: 382.28718
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Murray, L.M., A.Johnson, Diaz, M.C., Crews, P. J Org Chem (1997) 62, 5638-41
Species:
Notes: Family : Terpenoids, Type : Sesterterpenoids, Group : Monocarbocyclics; 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) | 113.8 |
| 2 (C) | 149.3 |
| 3 (CH) | 116.6 |
| 4 (C) | 128.2 |
| 5 (CH2) | 29.8 |
| 6 (CH) | 121.3 |
| 7 (C) | 138.7 |
| 8 (CH2) | 39.7 |
| 9 (CH2) | 26.4 |
| 10 (CH) | 123.3 |
| 11 (C) | 136.6 |
| 12 (CH2) | 40.3 |
| 13 (CH2) | 27.9 |
| 14 (C) | 137.2 |
| 15 (C) | 126.9 |
| 16 (CH2) | 32.8 |
| 17 (CH2) | 19.6 |
| 18 (CH2) | 39.9 |
| 19 (C) | 35 |
| 20 (CH3) | 28.7 |
| 21 (CH3) | 28.7 |
| 22 (CH3) | 19.9 |
| 23 (CH3) | 16.1 |
| 24 (CH3) | 16.3 |
| 25 (C) | 148.3 |
| 25a (CH) | 116.6 |
