Common Name: Monodictyphenone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H12O6/c1-7-5-8(15(20)21)12(11(18)6-7)14(19)13-9(16)3-2-4-10(13)17/h2-6,16-18H,1H3,(H,20,21)
InChIKey: InChIKey=UMNWQJSVQOCNEM-UHFFFAOYSA-N
Formula: C15H12O6
Molecular Weight: 288.252757
Exact Mass: 288.063388
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Krick, A., Kehraus, S., Gerhauser, C., Klimo, K., Nieger, M., Maier, A., Fiebig, H.H., Atodiresei, I., Raabe, G., Fleischhauer, J., Konig, G.M. J Nat Prod (2007) 70, 353-60
Species:
Notes: Family : Aromatics, Type : Benzophenones; 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)
Position | PPM |
---|---|
1 (C) | 131.9 |
2 (C) | 129.6 |
3 (CH) | 122.4 |
4 (C) | 139.5 |
5 (CH) | 121.1 |
6 (C) | 154.1 |
1' (C) | 112.6 |
2' (C) | 162.9 |
3' (CH) | 108 |
4' (CH) | 136.6 |
5' (CH) | 108 |
6' (C) | 162.9 |
7' (C) | 202.1 |
2a (C) | 167.5 |
4a (CH3) | 21.1 |