Spektraris NMR
Obtusal A
Common Name: Obtusal A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O4/c1-16(7-5-9-18(3)14-21)11-12-24-20(23)13-17(2)8-6-10-19(4)15-22/h9-10,14-17H,5-8,11-13H2,1-4H3/b18-9+,19-10+/t16-,17-/m1/s1
InChIKey: InChIKey=SOBOYKNHEAFZOH-DNUWIBLISA-N
Formula: C20H32O4
Molecular Weight: 336.466442
Exact Mass: 336.23006
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Kuo, Y.H., Chen, C.H., Wein, Y.S. Helv Chim Acta (2002) 85, 2657-63
Species:
Notes: Family : Terpenoids, Type : Monoterpenoids, Group : Dimethyloctanes; 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) | 172.8 |
| 2 (CH2) | 41.6 |
| 3 (CH) | 30 |
| 4 (CH2) | 35.3 |
| 5 (CH2) | 26.4 |
| 6 (CH) | 154.4 |
| 7 (C) | 139.4 |
| 8 (CH) | 195.2 |
| 9 (CH3) | 9.2 |
| 10 (CH3) | 19.5 |
| 1' (CH2) | 62.5 |
| 2' (CH2) | 35 |
| 3' (CH) | 29.6 |
| 4' (CH2) | 35.3 |
| 5' (CH2) | 26.4 |
| 6' (CH) | 154 |
| 7' (C) | 139.5 |
| 8' (CH) | 195.2 |
| 9' (CH3) | 9.2 |
| 10' (CH3) | 19.2 |
