Spektraris NMR
Obtusal B
Common Name: Obtusal B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H32O3/c1-14(7-6-8-15(2)13-21)11-18(22)23-17-12-16-9-10-20(17,5)19(16,3)4/h8,13-14,16-17H,6-7,9-12H2,1-5H3/b15-8+/t14-,16+,17-,20-/m1/s1
InChIKey: InChIKey=KTMRENYEKLIDBV-PAYDMACSSA-N
Formula: C20H32O3
Molecular Weight: 320.467037
Exact Mass: 320.235145
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) | 173.1 |
| 2 (CH2) | 41.9 |
| 3 (CH) | 30.2 |
| 4 (CH2) | 35 |
| 5 (CH2) | 26.5 |
| 6 (CH) | 154.1 |
| 7 (C) | 139.5 |
| 8 (CH) | 195.2 |
| 9 (CH3) | 9.2 |
| 10 (CH3) | 19.5 |
| 1' (C) | 48.7 |
| 2' (CH) | 79.9 |
| 3' (CH2) | 36.9 |
| 4' (CH) | 44.9 |
| 5' (CH2) | 28 |
| 6' (CH2) | 27.1 |
| 7' (C) | 47.8 |
| 8' (CH3) | 18.8 |
| 9' (CH3) | 19.7 |
| 10' (CH3) | 13.5 |
