Spektraris NMR
Arenarol
Common Name: Arenarol
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O4/c1-13-7-6-8-18-21(13,3)10-9-14(2)22(18,4)12-15-16(23)11-17(26-5)20(25)19(15)24/h11,14,18,24H,1,6-10,12H2,2-5H3/t14-,18+,21-,22+/m0/s1
InChIKey: InChIKey=QWBGDIQDPMJYQG-UPOGBMBOSA-N
Formula: C22H30O4
Molecular Weight: 358.472032
Exact Mass: 358.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Salmoun, M., Devijver, C., Daloze, D., Braekman, J.C., Gomez, R., de Kluijver, M., Van Soest, R.W. J Nat Prod (2000) 63, 452-6
Species:
Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Friedodrimanes; 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) | 23.2 |
| 2 (CH2) | 25.6 |
| 3 (CH2) | 32.6 |
| 4 (C) | 154.1 |
| 5 (C) | 40.2 |
| 6 (CH2) | 38.5 |
| 7 (CH2) | 28.6 |
| 8 (CH) | 40.6 |
| 9 (C) | 46.3 |
| 10 (CH) | 49.6 |
| 11 (CH2) | 106.4 |
| 12 (CH3) | 33.8 |
| 13 (CH3) | 19 |
| 14 (CH3) | 19.2 |
| 15 (CH2) | 33.8 |
| 1' (C) | 121.6 |
| 2' (C) | 188 |
| 3' (CH) | 109.6 |
| 4' (C) | 156.3 |
| 5' (C) | 179.2 |
| 6' (C) | 152.1 |
| 4'a (CH3) | 57 |
