Spektraris NMR
3,6-Dihydroxy-2-hydroxymethyl-9,10-anthraquinone
Common Name: 3,6-Dihydroxy-2-hydroxymethyl-9,10-anthraquinone
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C15H10O5/c16-6-7-3-10-12(5-13(7)18)15(20)11-4-8(17)1-2-9(11)14(10)19/h1-5,16-18H,6H2
InChIKey: InChIKey=VFILSEYHXFPERI-UHFFFAOYSA-N
Formula: C15H10O5
Molecular Weight: 270.237471
Exact Mass: 270.052823
NMR Solvent: DMSO-d6
MHz:
Calibration:
NMR references: 13C - Ling, S.K., Komorita, A., Tanaka, T., Fujioka, T., Mihashi, K., Kouno, I. Chem Pharm Bull (2002) 50, 1035-40
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 (CH) | 127.5 |
| 2 (C) | 137.6 |
| 3 (C) | 160.5 |
| 4 (CH) | 112.6 |
| 4a (C) | 126.6 |
| 5 (CH) | 113.5 |
| 6 (C) | 163.9 |
| 7 (CH) | 122.6 |
| 8 (CH) | 130.9 |
| 8a (C) | 126.8 |
| 9 (C) | 182 |
| 9a (C) | 134.8 |
| 10 (C) | 184.2 |
| 10a (C) | 136.7 |
| 2a (CH2) | 59.3 |
