Spektraris NMR
Spongiaquinone
Common Name: Spongiaquinone
Synonyms: Spongiaquinone
CAS Registry Number:
InChI: InChI=1S/C22H30O4/c1-13-7-8-18-21(2,3)9-6-10-22(18,4)15(13)11-14-19(24)16(23)12-17(26-5)20(14)25/h11-13,18,24H,6-10H2,1-5H3/b15-11+/t13-,18-,22+/m0/s1
InChIKey: InChIKey=APGCGKNHDQBBQT-PSOPLJNKSA-N
Formula: C22H30O4
Molecular Weight: 358.472032
Exact Mass: 358.214409
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Bernet, A., Schroder, J., Seifert, K. Helv Chim Acta (2003) 86, 2009-20
Species:
Notes: Family : Terpenoids, Type : Merosesquiterpenoids, Group : Drimanes; 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) | 38.5 |
| 2 (CH2) | 18.91 |
| 3 (CH2) | 41.91 |
| 4 (C) | 34 |
| 5 (CH) | 54.4 |
| 6 (CH2) | 17.6 |
| 7 (CH2) | 33.7 |
| 8 (CH) | 33.4 |
| 9 (C) | 163.1 |
| 10 (C) | 41.3 |
| 11 (CH) | 106.9 |
| 12 (CH3) | 21.9 |
| 13 (CH3) | 33.5 |
| 14 (CH3) | 21.9 |
| 15 (CH3) | 22.4 |
| 1' (C) | 125.5 |
| 2' (C) | 181.3 |
| 3' (C) | 161.3 |
| 4' (CH) | 102.3 |
| 5' (C) | 182.7 |
| 6' (C) | 150.2 |
| 5'a (CH3) | 56.8 |
