Spektraris NMR
8-O-Methylaverufin
Common Name: 8-O-Methylaverufin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C21H18O7/c1-21-5-3-4-12(27-21)17-14(28-21)8-11-16(20(17)25)19(24)15-10(18(11)23)6-9(22)7-13(15)26-2/h6-8,12,22,25H,3-5H2,1-2H3/t12?,21-/m1/s1
InChIKey: InChIKey=QZGXXZPRJHSVTD-BLXYSHDZSA-N
Formula: C21H18O7
Molecular Weight: 382.364222
Exact Mass: 382.105253
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Maskey, R.P., Grun-Wollny, I., Laatsch, H. J Antibiot (2003) 56, 459-63
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) | 157.1 |
| 2 (C) | 115.7 |
| 3 (C) | 157.1 |
| 4 (CH) | 103.4 |
| 4a (C) | 132.3 |
| 5 (CH) | 113.7 |
| 6 (C) | 158.6 |
| 7 (CH) | 105.6 |
| 8 (C) | 164.4 |
| 8a (C) | 105.6 |
| 9 (C) | 182.2 |
| 9a (C) | 110.3 |
| 10 (C) | 183.8 |
| 10a (C) | 135.9 |
| 1' (CH) | 66.1 |
| 2' (CH2) | 26.9 |
| 3' (CH2) | 15.3 |
| 4' (CH2) | 35.3 |
| 5' (C) | 99.9 |
| 6' (CH3) | 27.5 |
| 1'' (CH3) | 55.1 |
