Spektraris NMR
Isospongiaquinone
Common Name: Isospongiaquinone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H30O4/c1-13-7-6-8-18-21(13,3)10-9-14(2)22(18,4)12-15-19(24)16(23)11-17(26-5)20(15)25/h7,11,14,18,24H,6,8-10,12H2,1-5H3/t14-,18+,21+,22+/m0/s1
InChIKey: InChIKey=LKNAVZKSKJJHQH-YVUMSICPSA-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) | 20.6 |
| 2 (CH2) | 27.8 |
| 3 (CH) | 121.6 |
| 4 (C) | 144.7 |
| 5 (C) | 39.2 |
| 6 (CH2) | 36.7 |
| 7 (CH2) | 28.6 |
| 8 (CH) | 38.6 |
| 9 (C) | 43.8 |
| 10 (CH) | 48.6 |
| 11 (CH3) | 18.9 |
| 12 (CH3) | 20.9 |
| 13 (CH3) | 18.4 |
| 14 (CH3) | 18 |
| 15 (CH2) | 33 |
| 1' (C) | 118.3 |
| 2' (C) | 183 |
| 3' (C) | 162.5 |
| 4' (CH) | 102.7 |
| 5' (C) | 182.8 |
| 6' (C) | 154 |
| 5'a (CH3) | 57.5 |
