Annulatophenone

Annulatophenone

Common Name: Annulatophenone

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C14H12O6/c1-20-10-5-11(17)13(12(18)6-10)14(19)7-2-8(15)4-9(16)3-7/h2-6,15-18H,1H3

InChIKey: InChIKey=SFMNMSZFHGJDAG-UHFFFAOYSA-N

Formula: C14H12O6

Molecular Weight: 276.242021

Exact Mass: 276.063388

NMR Solvent: CD3COCD3

MHz:

Calibration:

NMR references: 13C - Kitanov, G.M., Nedialkov, P.T. Phytochemistry (2001) 57, 1237-43

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)

Carbon NMR Peaks

Position PPM
1 (C) 106.96
2 (C) 163.76
3 (CH) 95.12
4 (C) 167.37
5 (CH) 95.12
6 (C) 163.76
1' (C) 144.88
2' (CH) 108.17
3' (C) 159.56
4' (CH) 106.96
5' (C) 159.56
6' (CH) 108.17
7' (C) 200.11
4a (CH3) 56.49