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)
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 |