Spektraris NMR
1'-O-Methylaverantin
Common Name: 1'-O-Methylaverantin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H22O7/c1-3-4-5-6-15(28-2)18-14(24)9-12-17(21(18)27)20(26)16-11(19(12)25)7-10(22)8-13(16)23/h7-9,15,22-24,27H,3-6H2,1-2H3
InChIKey: InChIKey=RNOYIZPXILLZCR-UHFFFAOYSA-N
Formula: C21H22O7
Molecular Weight: 386.395985
Exact Mass: 386.136553
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Shao, C., Wang, C., Wei, M., Li, S., She, Z., Gu, Y., Lin, Y. Magn Reson Chem (2008) 46, 886-9
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) | 165 |
| 2 (C) | 120.4 |
| 3 (C) | 163.7 |
| 4 (CH) | 111 |
| 4a (C) | 135.8 |
| 5 (CH) | 110.5 |
| 6 (C) | 166.8 |
| 7 (CH) | 109.9 |
| 8 (C) | 166.7 |
| 8a (C) | 111.1 |
| 9 (C) | 191.4 |
| 9a (C) | 110.6 |
| 10 (C) | 182.4 |
| 10a (C) | 137.2 |
| 1' (CH) | 80.7 |
| 2' (CH2) | 36.1 |
| 3' (CH2) | 33.3 |
| 4' (CH2) | 26.7 |
| 5' (CH2) | 24.2 |
| 6' (CH3) | 15.3 |
| 1'a (CH3) | 59.3 |
