Spektraris NMR
Rubiawallin-A1
Common Name: Rubiawallin-A1
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C16H12O5/c1-20-8-3-4-9-11(7-8)14(17)10-5-6-12(21-2)16(19)13(10)15(9)18/h3-7,19H,1-2H3
InChIKey: InChIKey=BPNMEZKFWZNCLT-UHFFFAOYSA-N
Formula: C16H12O5
Molecular Weight: 284.264088
Exact Mass: 284.068473
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Wu, T.S., Lin, D.M., Shi, L.S., Damu, A.G., Kuo, P.C., Kuo, Y.H. Chem Pharm Bull (2003) 51, 948-50
Species:
Notes: Family : Aromatics, Type : Anthraquinones, Group : Anthraquinones; 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) | 152.7 |
| 2 (C) | 154.3 |
| 3 (CH) | 115 |
| 4 (CH) | 121 |
| 4a (C) | 125.5 |
| 5 (CH) | 109.8 |
| 6 (C) | 165 |
| 7 (CH) | 120.3 |
| 8 (CH) | 128.9 |
| 8a (C) | 126.8 |
| 9 (C) | 188.7 |
| 9a (C) | 115.5 |
| 10 (C) | 181.6 |
| 10a (C) | 136.4 |
| 2a (CH3) | 57.1 |
| 6a (CH3) | 55.6 |
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The Spektraris NMR database is developed and hosted by the Lange laboratory at WSU. CAS Registry Number is a Registered Trademark of the American Chemical Society.