Alkannin

Alkannin

Common Name: Alkannin

Synonyms:

CAS Registry Number:

InChI: InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3/t10-/m0/s1

InChIKey: InChIKey=NEZONWMXZKDMKF-JTQLQIEISA-N

Formula: C16H16O5

Molecular Weight: 288.295851

Exact Mass: 288.099774

NMR Solvent: CDCl3

MHz:

Calibration:

NMR references: 13C - Papageorgiou, V.P. Planta Med (1980) 40, 305-7

Species:

Notes: Family : Aromatics, Type : Naphthalenes, Group : Naphthazarins; 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) 178.7
2 (C) 149.5
3 (CH) 129.9
4 (C) 177.9
5 (C) 163.6
6 (CH) 130.5
7 (CH) 130.4
8 (C) 163
9 (C) 109.7
10 (C) 110.1
1' (CH) 66.5
2' (CH2) 33.8
3' (CH) 116.6
4' (C) 135.4
5' (CH3) 24
6' (CH3) 16.2