Spektraris NMR
(R)-1,3,6,8-tetrahydroxy-2-(1-methoxyethyl)anthracene-9,10-dione
Common Name: (R)-1,3,6,8-tetrahydroxy-2-(1-methoxyethyl)anthracene-9,10-dione
Synonyms: (R)-1,3,6,8-tetrahydroxy-2-(1-methoxyethyl)anthracene-9,10-dione
CAS Registry Number:
InChI: InChI=1S/C17H14O7/c1-6(24-2)12-11(20)5-9-14(16(12)22)17(23)13-8(15(9)21)3-7(18)4-10(13)19/h3-6,18-20,22H,1-2H3/t6-/m1/s1
InChIKey: InChIKey=YUVCACNTQJHROF-ZCFIWIBFSA-N
Formula: C17H14O7
Molecular Weight: 330.289515
Exact Mass: 330.073953
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Brauers, G., Edrada, R.A., Ebel, R., Proksch, P., Wray, V., Berg, A., Grafe, U., Schachtele, C., Totzke, F., Finkenzeller, G., Marme, D., Kraus, J., Munchbach, M., Michel, M., Bringmann, G., Schaumann, K. J Nat Prod (2000) 63, 739-45
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) | 162.7 |
| 2 (C) | 120.2 |
| 3 (C) | 163.3 |
| 4 (CH) | 108.5 |
| 4a (C) | 133.2 |
| 5 (CH) | 108.6 |
| 6 (C) | 165.1 |
| 7 (CH) | 108.1 |
| 8 (C) | 164.2 |
| 8a (C) | 108.7 |
| 9 (C) | 188.9 |
| 9a (C) | 108.2 |
| 10 (C) | 181.3 |
| 10a (C) | 134.9 |
| 2a (CH) | 70.3 |
| 2b (CH3) | 18.7 |
| 2aa (CH3) | 55.9 |
