Spektraris NMR
1-Methoxy-3-hydroxy-2-carbomethoxy-9,10-anthraquinone 3-O-β-primeveroside
Common Name: 1-Methoxy-3-hydroxy-2-carbomethoxy-9,10-anthraquinone 3-O-β-primeveroside
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C28H30O15/c1-38-25-16-12(18(30)10-5-3-4-6-11(10)19(16)31)7-14(17(25)26(37)39-2)42-28-24(36)22(34)21(33)15(43-28)9-41-27-23(35)20(32)13(29)8-40-27/h3-7,13,15,20-24,27-29,32-36H,8-9H2,1-2H3/t13-,15-,20+,21-,22+,23-,24-,27+,28-/m1/s1
InChIKey: InChIKey=WGNUXEMGVHKOSU-GVOKKYEVSA-N
Formula: C28H30O15
Molecular Weight: 606.529902
Exact Mass: 606.15847
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 (C) | 158.7 |
| 2 (C) | 125.4 |
| 3 (C) | 157.8 |
| 4 (CH) | 109 |
| 4a (C) | 137.2 |
| 5 (CH) | 126.5 |
| 6 (CH) | 133.8 |
| 7 (CH) | 134.8 |
| 8 (CH) | 126.7 |
| 8a (C) | 134.2 |
| 9 (C) | 180 |
| 9a (C) | 120.2 |
| 10 (C) | 181.8 |
| 10a (C) | 132.1 |
| 1' (CH) | 100.1 |
| 2' (CH) | 73 |
| 3' (CH) | 76.3 |
| 4' (CH) | 69.2 |
| 5' (CH) | 75.8 |
| 6' (CH2) | 68 |
| 1'' (CH) | 104.1 |
| 2'' (CH) | 73.2 |
| 3'' (CH) | 76.4 |
| 4'' (CH) | 69.5 |
| 5'' (CH2) | 65.6 |
| 1a (CH3) | 62.9 |
| 2a (C) | 164.2 |
| 2b (CH3) | 52.7 |
