Spektraris NMR
Capitellataquinone A
Common Name: Capitellataquinone A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H18O6/c1-20(2,25)14-7-12-15-11(6-9(8-21)19(12)26-14)18(24)16-10(17(15)23)4-3-5-13(16)22/h3-6,14,21-22,25H,7-8H2,1-2H3
InChIKey: InChIKey=XTQYMYODVMISSX-UHFFFAOYSA-N
Formula: C20H18O6
Molecular Weight: 354.354081
Exact Mass: 354.110338
NMR Solvent: CD3COCD3
MHz:
Calibration:
NMR references: 13C - Ahmad, R., Shaari, K., Lajis, N.H., Hamzah, A.S., Ismail, N.H., Kitajima, M. Phytochemistry (2005) 66, 1141-7
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) | 126.9 |
| 2 (C) | 130.4 |
| 3 (C) | 163.5 |
| 4 (C) | 130.1 |
| 4a (C) | 128.9 |
| 5 (CH) | 119.2 |
| 6 (CH) | 137.2 |
| 7 (CH) | 124.4 |
| 8 (C) | 161 |
| 8a (C) | 116.4 |
| 9 (C) | 187.9 |
| 9a (C) | 126.1 |
| 10 (C) | 183.5 |
| 10a (C) | 134.1 |
| 13 (CH2) | 57.8 |
| 1' (CH2) | 31.7 |
| 2' (CH) | 92.2 |
| 3' (C) | 70.8 |
| 4' (CH3) | 25.6 |
| 5' (CH3) | 26.2 |
