Spektraris NMR
1,8-O-Dimethylaverantin
Common Name: 1,8-O-Dimethylaverantin
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C22H24O7/c1-4-5-6-7-14(24)19-15(25)10-13-18(22(19)29-3)21(27)17-12(20(13)26)8-11(23)9-16(17)28-2/h8-10,14,23-25H,4-7H2,1-3H3/t14-/m0/s1
InChIKey: InChIKey=QBUKBHZHLGSNMY-AWEZNQCLSA-N
Formula: C22H24O7
Molecular Weight: 400.422602
Exact Mass: 400.152203
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) | 165.2 |
| 2 (C) | 116.2 |
| 3 (C) | 170.6 |
| 4 (CH) | 104.6 |
| 4a (C) | 132.9 |
| 5 (CH) | 111.8 |
| 6 (C) | 163.2 |
| 7 (CH) | 105.1 |
| 8 (C) | 162.3 |
| 8a (C) | 107.9 |
| 9 (C) | 185.9 |
| 9a (C) | 111.7 |
| 10 (C) | 183.5 |
| 10a (C) | 138.2 |
| 1' (CH3) | 56.7 |
| 1'' (CH) | 69.6 |
| 2'' (CH2) | 37.8 |
| 3'' (CH2) | 32.7 |
| 4'' (CH2) | 26.3 |
| 5'' (CH2) | 23.4 |
| 6'' (CH3) | 14.4 |
| 1''' (CH3) | 56.3 |
