Spektraris NMR
Marcanine A
Common Name: Marcanine A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C14H9NO3/c1-7-6-10(16)15-12-11(7)13(17)8-4-2-3-5-9(8)14(12)18/h2-6H,1H3,(H,15,16)
InChIKey: InChIKey=GYAHTYNHCVTZOK-UHFFFAOYSA-N
Formula: C14H8N1O3
Molecular Weight: 238.218786
Exact Mass: 238.050418
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Soonthornchareonnon, N., Suwanborirux, K., Bavovada, R., Patarapanich, C., Cassady, J.M. J Nat Prod (1999) 62, 1390-4
Species:
Notes: Family : Aromatics, Type : Anthraquinones, Group : Azaanthraquinones; 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 |
|---|---|
| 2 (C) | 160.4 |
| 3 (CH) | 127.7 |
| 4 (C) | 139.8 |
| 4a (C) | 116.1 |
| 5 (CH) | 126.7 |
| 6 (CH) | 133.7 |
| 7 (CH) | 135.8 |
| 8 (CH) | 127.6 |
| 8a (C) | 133.3 |
| 9 (C) | 181.4 |
| 9a (C) | 152.2 |
| 10 (C) | 178 |
| 10a (C) | 130 |
| 1' (CH3) | 22.8 |
