Spektraris NMR
Marcanines B
Common Name: Marcanines B
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H13NO4/c1-8-11-12(17(2)16(20)15(8)21-3)14(19)10-7-5-4-6-9(10)13(11)18/h4-7H,1-3H3
InChIKey: InChIKey=HAOZFNOODAJKHH-UHFFFAOYSA-N
Formula: C16H13N1O4
Molecular Weight: 283.279367
Exact Mass: 283.084458
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) | 158.6 |
| 3 (C) | 151 |
| 4 (C) | 135.9 |
| 4a (C) | 120.4 |
| 5 (CH) | 126.5 |
| 6 (CH) | 133.6 |
| 7 (CH) | 134.3 |
| 8 (CH) | 126.4 |
| 8a (C) | 132.5 |
| 9 (C) | 182.9 |
| 9a (C) | 139.5 |
| 10 (C) | 180.3 |
| 10a (C) | 132.3 |
| 1' (CH3) | 14.2 |
| 1a (CH3) | 35.2 |
| 3a (CH3) | 59.7 |
