Spektraris NMR
Marcanines C
Common Name: Marcanines C
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H13NO5/c1-17-12-11(10(7-18)15(22-2)16(17)21)13(19)8-5-3-4-6-9(8)14(12)20/h3-6,18H,7H2,1-2H3
InChIKey: InChIKey=PVLVGAVXXNMXPT-UHFFFAOYSA-N
Formula: C16H13N1O5
Molecular Weight: 299.278772
Exact Mass: 299.079373
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) | 159.1 |
| 3 (C) | 151 |
| 4 (C) | 135.6 |
| 4a (C) | 119.9 |
| 5 (CH) | 126.8 |
| 6 (CH) | 134.2 |
| 7 (CH) | 134.5 |
| 8 (CH) | 126.7 |
| 8a (C) | 132.1 |
| 9 (C) | 184.2 |
| 9a (C) | 140.2 |
| 10 (C) | 179.9 |
| 10a (C) | 132.1 |
| 1' (CH2) | 56.3 |
| 1a (CH3) | 35.4 |
| 3a (CH3) | 60.9 |
